4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide

C24H19FN6O — CID 11531982

IUPAC4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccncc2)N1
InChIInChI=1S/C24H19FN6O/c1-14-21(24(32)29-19-6-7-20-17(12-19)13-27-31-20)22(15-2-4-18(25)5-3-15)30-23(28-14)16-8-10-26-11-9-16/h2-13,22H,1H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyQDVDRQIXJARQBJ-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.10
Rot. Bonds4

About 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11531982) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11531982
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccncc2)N1
InChIInChI=1S/C24H19FN6O/c1-14-21(24(32)29-19-6-7-20-17(12-19)13-27-31-20)22(15-2-4-18(25)5-3-15)30-23(28-14)16-8-10-26-11-9-16/h2-13,22H,1H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyQDVDRQIXJARQBJ-UHFFFAOYSA-N
XLogP4.10
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide (CID 11531982) is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccncc2)N1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is QDVDRQIXJARQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-14-21(24(32)29-19-6-7-20-17(12-19)13-27-31-20)22(15-2-4-18(25)5-3-15)30-23(28-14)16-8-10-26-11-9-16/h2-13,22H,1H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide?
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-4-yl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11531982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).