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

C26H28F2N10O — CID 138961833

IUPACN-[[6-[4-(difluoromethyl)-3-methylpyrazol-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)c(C)n4)nc3)nc2)n1
InChIInChI=1S/C26H28F2N10O/c1-14-8-21(33-22-9-15(2)35-36-22)34-25(32-14)18-5-6-20(29-12-18)26(39)31-11-17-4-7-23(30-10-17)38-13-19(24(27)28)16(3)37-38/h4-8,10,12-13,15,22,24,35-36H,9,11H2,1-3H3,(H,31,39)(H,32,33,34)
InChIKeyLYSHOGACRPAINU-UHFFFAOYSA-N
MW534.58 g/mol
LogP3.23
Rot. Bonds8

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

N-[[6-[4-(difluoromethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 138961833) has the molecular formula C26H28F2N10O and a molecular weight of 534.58 g/mol. Its IUPAC name is N-[[6-[4-(difluoromethyl)-3-methylpyrazol-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)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID138961833
Molecular FormulaC26H28F2N10O
Molecular Weight534.58 g/mol
Exact Mass534.24
IUPAC NameN-[[6-[4-(difluoromethyl)-3-methylpyrazol-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)c(C)n4)nc3)nc2)n1
InChIInChI=1S/C26H28F2N10O/c1-14-8-21(33-22-9-15(2)35-36-22)34-25(32-14)18-5-6-20(29-12-18)26(39)31-11-17-4-7-23(30-10-17)38-13-19(24(27)28)16(3)37-38/h4-8,10,12-13,15,22,24,35-36H,9,11H2,1-3H3,(H,31,39)(H,32,33,34)
InChIKeyLYSHOGACRPAINU-UHFFFAOYSA-N
XLogP3.23
TPSA134.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.58
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(difluoromethyl)-3-methylpyrazol-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)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 138961833) is N-[[6-[4-(difluoromethyl)-3-methylpyrazol-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)-3-methylpyrazol-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)-3-methylpyrazol-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)c(C)n4)nc3)nc2)n1.
What is the InChIKey of N-[[6-[4-(difluoromethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is LYSHOGACRPAINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N10O/c1-14-8-21(33-22-9-15(2)35-36-22)34-25(32-14)18-5-6-20(29-12-18)26(39)31-11-17-4-7-23(30-10-17)38-13-19(24(27)28)16(3)37-38/h4-8,10,12-13,15,22,24,35-36H,9,11H2,1-3H3,(H,31,39)(H,32,33,34).
What are the key properties of N-[[6-[4-(difluoromethyl)-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[[6-[4-(difluoromethyl)-3-methylpyrazol-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 534.58 g/mol, XLogP of 3.23, 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)-3-methylpyrazol-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 138961833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).