(2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

C17H18N6O — CID 94184489

IUPAC(2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H18N6O/c1-18-17(24)14-8-5-9-22(14)15-13-10-21-23(16(13)20-11-19-15)12-6-3-2-4-7-12/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,18,24)/t14-/m0/s1
InChIKeyNMRVGVDAVSTLRL-AWEZNQCLSA-N
MW322.37 g/mol
LogP1.53
Rot. Bonds3

About (2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

(2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 94184489) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is (2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID94184489
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name(2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H18N6O/c1-18-17(24)14-8-5-9-22(14)15-13-10-21-23(16(13)20-11-19-15)12-6-3-2-4-7-12/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,18,24)/t14-/m0/s1
InChIKeyNMRVGVDAVSTLRL-AWEZNQCLSA-N
XLogP1.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 94184489) is (2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of (2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is NMRVGVDAVSTLRL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N6O/c1-18-17(24)14-8-5-9-22(14)15-13-10-21-23(16(13)20-11-19-15)12-6-3-2-4-7-12/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,18,24)/t14-/m0/s1.
What are the key properties of (2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
(2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94184489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).