N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H22N4O3 — CID 91766114

IUPACN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1cc2ncccn2n1
InChIInChI=1S/C17H22N4O3/c22-17(15-10-16-18-5-1-6-21(16)20-15)19-14-4-9-24-11-13(14)12-2-7-23-8-3-12/h1,5-6,10,12-14H,2-4,7-9,11H2,(H,19,22)/t13-,14-/m0/s1
InChIKeyTWIOFZJRLBLQQL-KBPBESRZSA-N
MW330.39 g/mol
LogP1.29
Rot. Bonds3

About N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91766114) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID91766114
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1cc2ncccn2n1
InChIInChI=1S/C17H22N4O3/c22-17(15-10-16-18-5-1-6-21(16)20-15)19-14-4-9-24-11-13(14)12-2-7-23-8-3-12/h1,5-6,10,12-14H,2-4,7-9,11H2,(H,19,22)/t13-,14-/m0/s1
InChIKeyTWIOFZJRLBLQQL-KBPBESRZSA-N
XLogP1.29
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 91766114) is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1cc2ncccn2n1.
What is the InChIKey of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is TWIOFZJRLBLQQL-KBPBESRZSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-17(15-10-16-18-5-1-6-21(16)20-15)19-14-4-9-24-11-13(14)12-2-7-23-8-3-12/h1,5-6,10,12-14H,2-4,7-9,11H2,(H,19,22)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91766114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).