N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C25H26F2N10O — CID 138961832

IUPACN-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCc1cc(NC2CC(C)NN2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(F)F)cn4)nc3)nc2)n1
InChIInChI=1S/C25H26F2N10O/c1-14-7-20(33-21-8-15(2)35-36-21)34-24(32-14)17-4-5-19(28-11-17)25(38)30-10-16-3-6-22(29-9-16)37-13-18(12-31-37)23(26)27/h3-7,9,11-13,15,21,23,35-36H,8,10H2,1-2H3,(H,30,38)(H,32,33,34)
InChIKeyXSJGILDBRULPQA-UHFFFAOYSA-N
MW520.55 g/mol
LogP2.92
Rot. Bonds8

About N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 138961832) has the molecular formula C25H26F2N10O and a molecular weight of 520.55 g/mol. Its IUPAC name is N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID138961832
Molecular FormulaC25H26F2N10O
Molecular Weight520.55 g/mol
Exact Mass520.23
IUPAC NameN-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCc1cc(NC2CC(C)NN2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(F)F)cn4)nc3)nc2)n1
InChIInChI=1S/C25H26F2N10O/c1-14-7-20(33-21-8-15(2)35-36-21)34-24(32-14)17-4-5-19(28-11-17)25(38)30-10-16-3-6-22(29-9-16)37-13-18(12-31-37)23(26)27/h3-7,9,11-13,15,21,23,35-36H,8,10H2,1-2H3,(H,30,38)(H,32,33,34)
InChIKeyXSJGILDBRULPQA-UHFFFAOYSA-N
XLogP2.92
TPSA134.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.55
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 138961832) is N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is Cc1cc(NC2CC(C)NN2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C(F)F)cn4)nc3)nc2)n1.
What is the InChIKey of N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is XSJGILDBRULPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N10O/c1-14-7-20(33-21-8-15(2)35-36-21)34-24(32-14)17-4-5-19(28-11-17)25(38)30-10-16-3-6-22(29-9-16)37-13-18(12-31-37)23(26)27/h3-7,9,11-13,15,21,23,35-36H,8,10H2,1-2H3,(H,30,38)(H,32,33,34).
What are the key properties of N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 520.55 g/mol, XLogP of 2.92, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 138961832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).