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

C27H30N10O — CID 138961827

IUPACN-[[6-(3-cyclopropylpyrazol-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(-n4ccc(C5CC5)n4)nc3)nc2)n1
InChIInChI=1S/C27H30N10O/c1-16-11-23(32-24-12-17(2)34-35-24)33-26(31-16)20-6-7-22(28-15-20)27(38)30-14-18-3-8-25(29-13-18)37-10-9-21(36-37)19-4-5-19/h3,6-11,13,15,17,19,24,34-35H,4-5,12,14H2,1-2H3,(H,30,38)(H,31,32,33)
InChIKeyIQSMJAJYTKOAMF-UHFFFAOYSA-N
MW510.61 g/mol
LogP2.86
Rot. Bonds8

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

N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 138961827) has the molecular formula C27H30N10O and a molecular weight of 510.61 g/mol. Its IUPAC name is N-[[6-(3-cyclopropylpyrazol-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-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID138961827
Molecular FormulaC27H30N10O
Molecular Weight510.61 g/mol
Exact Mass510.26
IUPAC NameN-[[6-(3-cyclopropylpyrazol-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(-n4ccc(C5CC5)n4)nc3)nc2)n1
InChIInChI=1S/C27H30N10O/c1-16-11-23(32-24-12-17(2)34-35-24)33-26(31-16)20-6-7-22(28-15-20)27(38)30-14-18-3-8-25(29-13-18)37-10-9-21(36-37)19-4-5-19/h3,6-11,13,15,17,19,24,34-35H,4-5,12,14H2,1-2H3,(H,30,38)(H,31,32,33)
InChIKeyIQSMJAJYTKOAMF-UHFFFAOYSA-N
XLogP2.86
TPSA134.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.61
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[[6-(3-cyclopropylpyrazol-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-(3-cyclopropylpyrazol-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-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 138961827) is N-[[6-(3-cyclopropylpyrazol-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-(3-cyclopropylpyrazol-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-(3-cyclopropylpyrazol-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(-n4ccc(C5CC5)n4)nc3)nc2)n1.
What is the InChIKey of N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is IQSMJAJYTKOAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N10O/c1-16-11-23(32-24-12-17(2)34-35-24)33-26(31-16)20-6-7-22(28-15-20)27(38)30-14-18-3-8-25(29-13-18)37-10-9-21(36-37)19-4-5-19/h3,6-11,13,15,17,19,24,34-35H,4-5,12,14H2,1-2H3,(H,30,38)(H,31,32,33).
What are the key properties of N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[[6-(3-cyclopropylpyrazol-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 510.61 g/mol, XLogP of 2.86, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-cyclopropylpyrazol-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 138961827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).