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

C27H30N10O — CID 138961828

IUPACN-[[6-(4-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(-n4cc(C5CC5)cn4)nc3)nc2)n1
InChIInChI=1S/C27H30N10O/c1-16-9-23(33-24-10-17(2)35-36-24)34-26(32-16)20-6-7-22(28-13-20)27(38)30-12-18-3-8-25(29-11-18)37-15-21(14-31-37)19-4-5-19/h3,6-9,11,13-15,17,19,24,35-36H,4-5,10,12H2,1-2H3,(H,30,38)(H,32,33,34)
InChIKeyWAUOGWOHDOYUIX-UHFFFAOYSA-N
MW510.61 g/mol
LogP2.86
Rot. Bonds8

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

N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 138961828) has the molecular formula C27H30N10O and a molecular weight of 510.61 g/mol. Its IUPAC name is N-[[6-(4-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-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID138961828
Molecular FormulaC27H30N10O
Molecular Weight510.61 g/mol
Exact Mass510.26
IUPAC NameN-[[6-(4-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(-n4cc(C5CC5)cn4)nc3)nc2)n1
InChIInChI=1S/C27H30N10O/c1-16-9-23(33-24-10-17(2)35-36-24)34-26(32-16)20-6-7-22(28-13-20)27(38)30-12-18-3-8-25(29-11-18)37-15-21(14-31-37)19-4-5-19/h3,6-9,11,13-15,17,19,24,35-36H,4-5,10,12H2,1-2H3,(H,30,38)(H,32,33,34)
InChIKeyWAUOGWOHDOYUIX-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-(4-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-(4-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-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 138961828) is N-[[6-(4-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-(4-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-(4-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(-n4cc(C5CC5)cn4)nc3)nc2)n1.
What is the InChIKey of N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is WAUOGWOHDOYUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N10O/c1-16-9-23(33-24-10-17(2)35-36-24)34-26(32-16)20-6-7-22(28-13-20)27(38)30-12-18-3-8-25(29-11-18)37-15-21(14-31-37)19-4-5-19/h3,6-9,11,13-15,17,19,24,35-36H,4-5,10,12H2,1-2H3,(H,30,38)(H,32,33,34).
What are the key properties of N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[[6-(4-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-(4-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 138961828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).