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

C25H20ClFN6O2 — CID 11663187

IUPAC4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1cc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)ccn1
InChIInChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-4-6-20-15(9-17)12-29-33-20)23(18-5-3-16(26)11-19(18)27)32-24(30-13)14-7-8-28-21(10-14)35-2/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyXJEJCCXXTNIOJF-UHFFFAOYSA-N
MW490.93 g/mol
LogP4.76
Rot. Bonds5

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

4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11663187) has the molecular formula C25H20ClFN6O2 and a molecular weight of 490.93 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11663187
Molecular FormulaC25H20ClFN6O2
Molecular Weight490.93 g/mol
Exact Mass490.13
IUPAC Name4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1cc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)ccn1
InChIInChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-4-6-20-15(9-17)12-29-33-20)23(18-5-3-16(26)11-19(18)27)32-24(30-13)14-7-8-28-21(10-14)35-2/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyXJEJCCXXTNIOJF-UHFFFAOYSA-N
XLogP4.76
TPSA104.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.93
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (CID 11663187) is 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is COc1cc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)ccn1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is XJEJCCXXTNIOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-4-6-20-15(9-17)12-29-33-20)23(18-5-3-16(26)11-19(18)27)32-24(30-13)14-7-8-28-21(10-14)35-2/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 490.93 g/mol, XLogP of 4.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11663187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).