4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C30H34FN7O3 — CID 118888922

IUPAC4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(CC(=O)NCC3CCN(C4CC4)CC3)c2)NC(=O)N1
InChIInChI=1S/C30H34FN7O3/c1-17-27(29(40)35-22-3-7-25-21(13-22)16-33-37-25)28(36-30(41)34-17)19-2-6-24(31)20(12-19)14-26(39)32-15-18-8-10-38(11-9-18)23-4-5-23/h2-3,6-7,12-13,16,18,23,28H,4-5,8-11,14-15H2,1H3,(H,32,39)(H,33,37)(H,35,40)(H2,34,36,41)
InChIKeyRMFZMKRQAGZACL-UHFFFAOYSA-N
MW559.65 g/mol
LogP3.50
Rot. Bonds8

About 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 118888922) has the molecular formula C30H34FN7O3 and a molecular weight of 559.65 g/mol. Its IUPAC name is 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID118888922
Molecular FormulaC30H34FN7O3
Molecular Weight559.65 g/mol
Exact Mass559.27
IUPAC Name4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(CC(=O)NCC3CCN(C4CC4)CC3)c2)NC(=O)N1
InChIInChI=1S/C30H34FN7O3/c1-17-27(29(40)35-22-3-7-25-21(13-22)16-33-37-25)28(36-30(41)34-17)19-2-6-24(31)20(12-19)14-26(39)32-15-18-8-10-38(11-9-18)23-4-5-23/h2-3,6-7,12-13,16,18,23,28H,4-5,8-11,14-15H2,1H3,(H,32,39)(H,33,37)(H,35,40)(H2,34,36,41)
InChIKeyRMFZMKRQAGZACL-UHFFFAOYSA-N
XLogP3.50
TPSA131.25 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.65
LogP ≤ 53.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 118888922) is 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(CC(=O)NCC3CCN(C4CC4)CC3)c2)NC(=O)N1.
What is the InChIKey of 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is RMFZMKRQAGZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O3/c1-17-27(29(40)35-22-3-7-25-21(13-22)16-33-37-25)28(36-30(41)34-17)19-2-6-24(31)20(12-19)14-26(39)32-15-18-8-10-38(11-9-18)23-4-5-23/h2-3,6-7,12-13,16,18,23,28H,4-5,8-11,14-15H2,1H3,(H,32,39)(H,33,37)(H,35,40)(H2,34,36,41).
What are the key properties of 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 559.65 g/mol, XLogP of 3.50, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(1-cyclopropylpiperidin-4-yl)methylamino]-2-oxoethyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 118888922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).