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

C22H29N7O3 — CID 146383465

IUPACN-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)N[C@@H]3CCC[C@@]3(C)O)cnn12
InChIInChI=1S/C22H29N7O3/c1-13(2)28-10-6-7-15(21(28)31)25-17-11-18(23-4)29-19(27-17)14(12-24-29)20(30)26-16-8-5-9-22(16,3)32/h6-7,10-13,16,23,32H,5,8-9H2,1-4H3,(H,25,27)(H,26,30)/t16-,22-/m1/s1
InChIKeyTYOZTIFHDFVJOY-OPAMFIHVSA-N
MW439.52 g/mol
LogP2.29
Rot. Bonds6

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

N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383465) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146383465
Molecular FormulaC22H29N7O3
Molecular Weight439.52 g/mol
Exact Mass439.23
IUPAC NameN-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)N[C@@H]3CCC[C@@]3(C)O)cnn12
InChIInChI=1S/C22H29N7O3/c1-13(2)28-10-6-7-15(21(28)31)25-17-11-18(23-4)29-19(27-17)14(12-24-29)20(30)26-16-8-5-9-22(16,3)32/h6-7,10-13,16,23,32H,5,8-9H2,1-4H3,(H,25,27)(H,26,30)/t16-,22-/m1/s1
InChIKeyTYOZTIFHDFVJOY-OPAMFIHVSA-N
XLogP2.29
TPSA125.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383465) is N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)N[C@@H]3CCC[C@@]3(C)O)cnn12.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TYOZTIFHDFVJOY-OPAMFIHVSA-N. The full InChI is InChI=1S/C22H29N7O3/c1-13(2)28-10-6-7-15(21(28)31)25-17-11-18(23-4)29-19(27-17)14(12-24-29)20(30)26-16-8-5-9-22(16,3)32/h6-7,10-13,16,23,32H,5,8-9H2,1-4H3,(H,25,27)(H,26,30)/t16-,22-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 2.29, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).