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

C21H27N7O3 — CID 137449797

IUPACN-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-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]3CC[C@@]3(C)O)cnn12
InChIInChI=1S/C21H27N7O3/c1-12(2)27-9-5-6-14(20(27)30)24-16-10-17(22-4)28-18(26-16)13(11-23-28)19(29)25-15-7-8-21(15,3)31/h5-6,9-12,15,22,31H,7-8H2,1-4H3,(H,24,26)(H,25,29)/t15-,21+/m0/s1
InChIKeyJLZOREQQZFCAEG-YCRPNKLZSA-N
MW425.49 g/mol
LogP1.90
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]pyrimidine-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]pyrimidine-3-carboxamide (PubChem CID 137449797) has the molecular formula C21H27N7O3 and a molecular weight of 425.49 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]pyrimidine-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]pyrimidine-3-carboxamide
PubChem CID137449797
Molecular FormulaC21H27N7O3
Molecular Weight425.49 g/mol
Exact Mass425.22
IUPAC NameN-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C(=O)N[C@H]3CC[C@@]3(C)O)cnn12
InChIInChI=1S/C21H27N7O3/c1-12(2)27-9-5-6-14(20(27)30)24-16-10-17(22-4)28-18(26-16)13(11-23-28)19(29)25-15-7-8-21(15,3)31/h5-6,9-12,15,22,31H,7-8H2,1-4H3,(H,24,26)(H,25,29)/t15-,21+/m0/s1
InChIKeyJLZOREQQZFCAEG-YCRPNKLZSA-N
XLogP1.90
TPSA125.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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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]pyrimidine-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]pyrimidine-3-carboxamide (CID 137449797) is N-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-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-[(1S,2R)-2-hydroxy-2-methylcyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-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]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(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]pyrimidine-3-carboxamide?
The InChIKey is JLZOREQQZFCAEG-YCRPNKLZSA-N. The full InChI is InChI=1S/C21H27N7O3/c1-12(2)27-9-5-6-14(20(27)30)24-16-10-17(22-4)28-18(26-16)13(11-23-28)19(29)25-15-7-8-21(15,3)31/h5-6,9-12,15,22,31H,7-8H2,1-4H3,(H,24,26)(H,25,29)/t15-,21+/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]pyrimidine-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]pyrimidine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 9 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]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).