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

C26H30N10O2 — CID 138961829

IUPACN-[[6-[4-(2-hydroxyethyl)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(CCO)cn4)nc3)nc2)n1
InChIInChI=1S/C26H30N10O2/c1-16-9-22(32-23-10-17(2)34-35-23)33-25(31-16)20-4-5-21(27-14-20)26(38)29-12-18-3-6-24(28-11-18)36-15-19(7-8-37)13-30-36/h3-6,9,11,13-15,17,23,34-35,37H,7-8,10,12H2,1-2H3,(H,29,38)(H,31,32,33)
InChIKeyWSYGOWPPFQGUGY-UHFFFAOYSA-N
MW514.59 g/mol
LogP1.52
Rot. Bonds9

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

N-[[6-[4-(2-hydroxyethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 138961829) has the molecular formula C26H30N10O2 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-[[6-[4-(2-hydroxyethyl)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-(2-hydroxyethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID138961829
Molecular FormulaC26H30N10O2
Molecular Weight514.59 g/mol
Exact Mass514.26
IUPAC NameN-[[6-[4-(2-hydroxyethyl)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(CCO)cn4)nc3)nc2)n1
InChIInChI=1S/C26H30N10O2/c1-16-9-22(32-23-10-17(2)34-35-23)33-25(31-16)20-4-5-21(27-14-20)26(38)29-12-18-3-6-24(28-11-18)36-15-19(7-8-37)13-30-36/h3-6,9,11,13-15,17,23,34-35,37H,7-8,10,12H2,1-2H3,(H,29,38)(H,31,32,33)
InChIKeyWSYGOWPPFQGUGY-UHFFFAOYSA-N
XLogP1.52
TPSA154.80 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 51.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-[[6-[4-(2-hydroxyethyl)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-(2-hydroxyethyl)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-(2-hydroxyethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 138961829) is N-[[6-[4-(2-hydroxyethyl)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-(2-hydroxyethyl)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-(2-hydroxyethyl)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(CCO)cn4)nc3)nc2)n1.
What is the InChIKey of N-[[6-[4-(2-hydroxyethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is WSYGOWPPFQGUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N10O2/c1-16-9-22(32-23-10-17(2)34-35-23)33-25(31-16)20-4-5-21(27-14-20)26(38)29-12-18-3-6-24(28-11-18)36-15-19(7-8-37)13-30-36/h3-6,9,11,13-15,17,23,34-35,37H,7-8,10,12H2,1-2H3,(H,29,38)(H,31,32,33).
What are the key properties of N-[[6-[4-(2-hydroxyethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[[6-[4-(2-hydroxyethyl)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 514.59 g/mol, XLogP of 1.52, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(2-hydroxyethyl)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 138961829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).