4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

C25H20ClFN6O2 — CID 11641686

IUPAC4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cn1
InChIInChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-5-7-20-15(9-17)12-29-33-20)23(18-6-4-16(26)10-19(18)27)32-24(30-13)14-3-8-21(35-2)28-11-14/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyZKNOJWWMOBXREH-UHFFFAOYSA-N
MW490.93 g/mol
LogP4.76
Rot. Bonds5

About 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11641686) 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-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11641686
Molecular FormulaC25H20ClFN6O2
Molecular Weight490.93 g/mol
Exact Mass490.13
IUPAC Name4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cn1
InChIInChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-5-7-20-15(9-17)12-29-33-20)23(18-6-4-16(26)10-19(18)27)32-24(30-13)14-3-8-21(35-2)28-11-14/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyZKNOJWWMOBXREH-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-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (CID 11641686) is 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is COc1ccc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cn1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is ZKNOJWWMOBXREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-5-7-20-15(9-17)12-29-33-20)23(18-6-4-16(26)10-19(18)27)32-24(30-13)14-3-8-21(35-2)28-11-14/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-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11641686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).