2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H21N5O3 — CID 135103543

IUPAC2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)N[C@H]3COC[C@H]3Cc3ccnc4ccccc34)c(=O)n2[nH]1
InChIInChI=1S/C22H21N5O3/c1-13-8-20-24-10-17(22(29)27(20)26-13)21(28)25-19-12-30-11-15(19)9-14-6-7-23-18-5-3-2-4-16(14)18/h2-8,10,15,19,26H,9,11-12H2,1H3,(H,25,28)/t15-,19+/m1/s1
InChIKeyAQPQMNIULBQVTP-BEFAXECRSA-N
MW403.44 g/mol
LogP1.87
Rot. Bonds4

About 2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135103543) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135103543
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)N[C@H]3COC[C@H]3Cc3ccnc4ccccc34)c(=O)n2[nH]1
InChIInChI=1S/C22H21N5O3/c1-13-8-20-24-10-17(22(29)27(20)26-13)21(28)25-19-12-30-11-15(19)9-14-6-7-23-18-5-3-2-4-16(14)18/h2-8,10,15,19,26H,9,11-12H2,1H3,(H,25,28)/t15-,19+/m1/s1
InChIKeyAQPQMNIULBQVTP-BEFAXECRSA-N
XLogP1.87
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135103543) is 2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)N[C@H]3COC[C@H]3Cc3ccnc4ccccc34)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is AQPQMNIULBQVTP-BEFAXECRSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13-8-20-24-10-17(22(29)27(20)26-13)21(28)25-19-12-30-11-15(19)9-14-6-7-23-18-5-3-2-4-16(14)18/h2-8,10,15,19,26H,9,11-12H2,1H3,(H,25,28)/t15-,19+/m1/s1.
What are the key properties of 2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135103543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).