N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide

C22H28N6O3 — CID 146426592

IUPACN-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C(C)C)c2=O)cc2c(C(=O)N[C@H]3CC[C@@]3(C)O)cnn12
InChIInChI=1S/C22H28N6O3/c1-13(2)27-9-5-6-16(21(27)30)25-14-10-17-15(12-24-28(17)19(11-14)23-4)20(29)26-18-7-8-22(18,3)31/h5-6,9-13,18,23,25,31H,7-8H2,1-4H3,(H,26,29)/t18-,22+/m0/s1
InChIKeyCBNJSGZWXBIPGV-PGRDOPGGSA-N
MW424.51 g/mol
LogP2.51
Rot. Bonds6

About N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 146426592) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID146426592
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C(C)C)c2=O)cc2c(C(=O)N[C@H]3CC[C@@]3(C)O)cnn12
InChIInChI=1S/C22H28N6O3/c1-13(2)27-9-5-6-16(21(27)30)25-14-10-17-15(12-24-28(17)19(11-14)23-4)20(29)26-18-7-8-22(18,3)31/h5-6,9-13,18,23,25,31H,7-8H2,1-4H3,(H,26,29)/t18-,22+/m0/s1
InChIKeyCBNJSGZWXBIPGV-PGRDOPGGSA-N
XLogP2.51
TPSA112.69 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 146426592) is N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide is CNc1cc(Nc2cccn(C(C)C)c2=O)cc2c(C(=O)N[C@H]3CC[C@@]3(C)O)cnn12.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CBNJSGZWXBIPGV-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-13(2)27-9-5-6-16(21(27)30)25-14-10-17-15(12-24-28(17)19(11-14)23-4)20(29)26-18-7-8-22(18,3)31/h5-6,9-13,18,23,25,31H,7-8H2,1-4H3,(H,26,29)/t18-,22+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 146426592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).