(2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

C17H17N5O2 — CID 10286524

IUPAC(2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccccc2)nc2[nH]ccc12
InChIInChI=1S/C17H17N5O2/c18-14(24)13-8-11(23)9-22(13)17-12-6-7-19-16(12)20-15(21-17)10-4-2-1-3-5-10/h1-7,11,13,23H,8-9H2,(H2,18,24)(H,19,20,21)/t11-,13+/m1/s1
InChIKeyOWEJCXLMTATCQQ-YPMHNXCESA-N
MW323.36 g/mol
LogP1.05
Rot. Bonds3

About (2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 10286524) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID10286524
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccccc2)nc2[nH]ccc12
InChIInChI=1S/C17H17N5O2/c18-14(24)13-8-11(23)9-22(13)17-12-6-7-19-16(12)20-15(21-17)10-4-2-1-3-5-10/h1-7,11,13,23H,8-9H2,(H2,18,24)(H,19,20,21)/t11-,13+/m1/s1
InChIKeyOWEJCXLMTATCQQ-YPMHNXCESA-N
XLogP1.05
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 10286524) is (2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccccc2)nc2[nH]ccc12.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is OWEJCXLMTATCQQ-YPMHNXCESA-N. The full InChI is InChI=1S/C17H17N5O2/c18-14(24)13-8-11(23)9-22(13)17-12-6-7-19-16(12)20-15(21-17)10-4-2-1-3-5-10/h1-7,11,13,23H,8-9H2,(H2,18,24)(H,19,20,21)/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 10286524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).