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

C26H30N10O — CID 138961824

IUPAC3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide
SMILESCc1cc(NC2CC(C)NN2)nc(-c2cnc(C(=O)N[C@@H](C)c3ccc(-n4cccn4)nc3)c(C)c2)n1
InChIInChI=1S/C26H30N10O/c1-15-10-20(25-30-16(2)11-21(33-25)32-22-12-17(3)34-35-22)14-28-24(15)26(37)31-18(4)19-6-7-23(27-13-19)36-9-5-8-29-36/h5-11,13-14,17-18,22,34-35H,12H2,1-4H3,(H,31,37)(H,30,32,33)/t17?,18-,22?/m0/s1
InChIKeyDJXNDQLGYHVDJA-DKTYTTGXSA-N
MW498.60 g/mol
LogP2.85
Rot. Bonds7

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

3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide (PubChem CID 138961824) has the molecular formula C26H30N10O and a molecular weight of 498.60 g/mol. Its IUPAC name is 3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide
PubChem CID138961824
Molecular FormulaC26H30N10O
Molecular Weight498.60 g/mol
Exact Mass498.26
IUPAC Name3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide
SMILESCc1cc(NC2CC(C)NN2)nc(-c2cnc(C(=O)N[C@@H](C)c3ccc(-n4cccn4)nc3)c(C)c2)n1
InChIInChI=1S/C26H30N10O/c1-15-10-20(25-30-16(2)11-21(33-25)32-22-12-17(3)34-35-22)14-28-24(15)26(37)31-18(4)19-6-7-23(27-13-19)36-9-5-8-29-36/h5-11,13-14,17-18,22,34-35H,12H2,1-4H3,(H,31,37)(H,30,32,33)/t17?,18-,22?/m0/s1
InChIKeyDJXNDQLGYHVDJA-DKTYTTGXSA-N
XLogP2.85
TPSA134.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide (CID 138961824) is 3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide is Cc1cc(NC2CC(C)NN2)nc(-c2cnc(C(=O)N[C@@H](C)c3ccc(-n4cccn4)nc3)c(C)c2)n1.
What is the InChIKey of 3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide?
The InChIKey is DJXNDQLGYHVDJA-DKTYTTGXSA-N. The full InChI is InChI=1S/C26H30N10O/c1-15-10-20(25-30-16(2)11-21(33-25)32-22-12-17(3)34-35-22)14-28-24(15)26(37)31-18(4)19-6-7-23(27-13-19)36-9-5-8-29-36/h5-11,13-14,17-18,22,34-35H,12H2,1-4H3,(H,31,37)(H,30,32,33)/t17?,18-,22?/m0/s1.
What are the key properties of 3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide?
3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide has a molecular weight of 498.60 g/mol, XLogP of 2.85, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 138961824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).