N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C24H23F2N7O2 — CID 134515033

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(OC(F)F)cc3)c(C)c2)n1
InChIInChI=1S/C24H23F2N7O2/c1-13-8-17(22-29-14(2)9-19(31-22)30-20-10-15(3)32-33-20)12-27-21(13)23(34)28-11-16-4-6-18(7-5-16)35-24(25)26/h4-10,12,24H,11H2,1-3H3,(H,28,34)(H2,29,30,31,32,33)
InChIKeyFDMLAJWTVLVQFF-UHFFFAOYSA-N
MW479.49 g/mol
LogP4.46
Rot. Bonds8

About N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 134515033) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID134515033
Molecular FormulaC24H23F2N7O2
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(OC(F)F)cc3)c(C)c2)n1
InChIInChI=1S/C24H23F2N7O2/c1-13-8-17(22-29-14(2)9-19(31-22)30-20-10-15(3)32-33-20)12-27-21(13)23(34)28-11-16-4-6-18(7-5-16)35-24(25)26/h4-10,12,24H,11H2,1-3H3,(H,28,34)(H2,29,30,31,32,33)
InChIKeyFDMLAJWTVLVQFF-UHFFFAOYSA-N
XLogP4.46
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-4-(4-((5-methyl-3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl)methyl)pyridin-2-yl)piperazine
CID 67377767
2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965
Pyrazole scaffold, 16
CID 25218470
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 1244790
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](2-methylpiperidin-1-yl)methanone
CID 2872139
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](4-methylpiperidino)methanone
CID 4422418
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 46879459
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 134515033) is N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(OC(F)F)cc3)c(C)c2)n1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is FDMLAJWTVLVQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c1-13-8-17(22-29-14(2)9-19(31-22)30-20-10-15(3)32-33-20)12-27-21(13)23(34)28-11-16-4-6-18(7-5-16)35-24(25)26/h4-10,12,24H,11H2,1-3H3,(H,28,34)(H2,29,30,31,32,33).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 4.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134515033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).