N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate

C120H95ClF8N22O22 — CID 163868885

About N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate

N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate (PubChem CID 163868885) has the molecular formula C120H95ClF8N22O22 and a molecular weight of 2384.65 g/mol. Its IUPAC name is N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate
• PubChem CID: 163868885
• Molecular Formula: C120H95ClF8N22O22
• Molecular Weight: 2384.65 g/mol
• Exact Mass: 2382.66
• IUPAC Name: N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate
• SMILES: NC(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1.NC(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1.Nc1cc(Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1.O=C(Cl)Oc1ccccc1.O=C(Nc1cc(Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1)Oc1ccccc1
• InChI: InChI=1S/C33H25F2N5O6.2C27H22F2N6O5.C26H21F2N5O4.C7H5ClO2/c34-21-8-11-23(12-9-21)40-31(42)26(19-39(33(40)44)18-20-6-7-20)30(41)37-22-10-13-28(27(35)16-22)45-25-14-15-36-29(17-25)38-32(43)46-24-4-2-1-3-5-24;2*28-16-3-6-18(7-4-16)35-25(37)20(14-34(27(35)39)13-15-1-2-15)24(36)32-17-5-8-22(21(29)11-17)40-19-9-10-31-23(12-19)33-26(30)38;27-16-3-6-18(7-4-16)33-25(35)20(14-32(26(33)36)13-15-1-2-15)24(34)31-17-5-8-22(21(28)11-17)37-19-9-10-30-23(29)12-19;8-7(9)10-6-4-2-1-3-5-6/h1-5,8-17,19-20H,6-7,18H2,(H,37,41)(H,36,38,43);2*3-12,14-15H,1-2,13H2,(H,32,36)(H3,30,31,33,38);3-12,14-15H,1-2,13H2,(H2,29,30)(H,31,34);1-5H
• InChIKey: PJAVTSZLUZPEII-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 581.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2384.65
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate?

The IUPAC name of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate (CID 163868885) is N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate.

What is the SMILES notation for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate?

The canonical SMILES for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate is NC(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1.NC(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1.Nc1cc(Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1.O=C(Cl)Oc1ccccc1.O=C(Nc1cc(Oc2ccc(NC(=O)c3cn(CC4CC4)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1)Oc1ccccc1.

What is the InChIKey of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate?

The InChIKey is PJAVTSZLUZPEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F2N5O6.2C27H22F2N6O5.C26H21F2N5O4.C7H5ClO2/c34-21-8-11-23(12-9-21)40-31(42)26(19-39(33(40)44)18-20-6-7-20)30(41)37-22-10-13-28(27(35)16-22)45-25-14-15-36-29(17-25)38-32(43)46-24-4-2-1-3-5-24;2*28-16-3-6-18(7-4-16)35-25(37)20(14-34(27(35)39)13-15-1-2-15)24(36)32-17-5-8-22(21(29)11-17)40-19-9-10-31-23(12-19)33-26(30)38;27-16-3-6-18(7-4-16)33-25(35)20(14-32(26(33)36)13-15-1-2-15)24(34)31-17-5-8-22(21(28)11-17)37-19-9-10-30-23(29)12-19;8-7(9)10-6-4-2-1-3-5-6/h1-5,8-17,19-20H,6-7,18H2,(H,37,41)(H,36,38,43);2*3-12,14-15H,1-2,13H2,(H,32,36)(H3,30,31,33,38);3-12,14-15H,1-2,13H2,(H2,29,30)(H,31,34);1-5H.

What are the key properties of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate?

N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate has a molecular weight of 2384.65 g/mol, XLogP of 19.11, 33 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate is sourced from PubChem (CID 163868885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).