N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H25N7O4 — CID 137449267

IUPACN-[(3S,4S)-4-hydroxyoxolan-3-yl]-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]3COC[C@H]3O)cnn12
InChIInChI=1S/C20H25N7O4/c1-11(2)26-6-4-5-13(20(26)30)23-16-7-17(21-3)27-18(25-16)12(8-22-27)19(29)24-14-9-31-10-15(14)28/h4-8,11,14-15,21,28H,9-10H2,1-3H3,(H,23,25)(H,24,29)/t14-,15+/m0/s1
InChIKeyITOFUJWIFHCMBJ-LSDHHAIUSA-N
MW427.47 g/mol
LogP0.75
Rot. Bonds6

About N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449267) has the molecular formula C20H25N7O4 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449267
Molecular FormulaC20H25N7O4
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC NameN-[(3S,4S)-4-hydroxyoxolan-3-yl]-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]3COC[C@H]3O)cnn12
InChIInChI=1S/C20H25N7O4/c1-11(2)26-6-4-5-13(20(26)30)23-16-7-17(21-3)27-18(25-16)12(8-22-27)19(29)24-14-9-31-10-15(14)28/h4-8,11,14-15,21,28H,9-10H2,1-3H3,(H,23,25)(H,24,29)/t14-,15+/m0/s1
InChIKeyITOFUJWIFHCMBJ-LSDHHAIUSA-N
XLogP0.75
TPSA134.81 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449267) is N-[(3S,4S)-4-hydroxyoxolan-3-yl]-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-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-hydroxyoxolan-3-yl]-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]3COC[C@H]3O)cnn12.
What is the InChIKey of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ITOFUJWIFHCMBJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H25N7O4/c1-11(2)26-6-4-5-13(20(26)30)23-16-7-17(21-3)27-18(25-16)12(8-22-27)19(29)24-14-9-31-10-15(14)28/h4-8,11,14-15,21,28H,9-10H2,1-3H3,(H,23,25)(H,24,29)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).