N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

C31H29F2N7O4 — CID 169150276

About N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 169150276) has the molecular formula C31H29F2N7O4 and a molecular weight of 601.61 g/mol. Its IUPAC name is N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
• PubChem CID: 169150276
• Molecular Formula: C31H29F2N7O4
• Molecular Weight: 601.61 g/mol
• Exact Mass: 601.22
• IUPAC Name: N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
• SMILES: CCCn1cc(-c2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2N)cn1
• InChI: InChI=1S/C31H29F2N7O4/c1-4-13-38-16-19(15-36-38)27-26(11-12-35-28(27)34)44-25-10-7-21(14-24(25)33)37-29(41)23-17-39(18(2)3)31(43)40(30(23)42)22-8-5-20(32)6-9-22/h5-12,14-18H,4,13H2,1-3H3,(H2,34,35)(H,37,41)
• InChIKey: NLBQKVZLLPIOQN-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 139.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.61
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

The IUPAC name of N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (CID 169150276) is N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

What is the SMILES notation for N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

The canonical SMILES for N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is CCCn1cc(-c2c(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2N)cn1.

What is the InChIKey of N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

The InChIKey is NLBQKVZLLPIOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N7O4/c1-4-13-38-16-19(15-36-38)27-26(11-12-35-28(27)34)44-25-10-7-21(14-24(25)33)37-29(41)23-17-39(18(2)3)31(43)40(30(23)42)22-8-5-20(32)6-9-22/h5-12,14-18H,4,13H2,1-3H3,(H2,34,35)(H,37,41).

What are the key properties of N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 601.61 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-amino-3-(1-propylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 169150276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).