(2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide

C28H29N5O3 — CID 90955087

IUPAC(2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2oc3ncnc(N4CCC(O)CC4)c3c2-c2ccccc2)cc1)[C@H]1CCCN1
InChIInChI=1S/C28H29N5O3/c34-21-12-15-33(16-13-21)26-24-23(18-5-2-1-3-6-18)25(36-28(24)31-17-30-26)19-8-10-20(11-9-19)32-27(35)22-7-4-14-29-22/h1-3,5-6,8-11,17,21-22,29,34H,4,7,12-16H2,(H,32,35)/t22-/m1/s1
InChIKeyQHSDINDBAIYCNV-JOCHJYFZSA-N
MW483.57 g/mol
LogP4.21
Rot. Bonds5

About (2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 90955087) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is (2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide
PubChem CID90955087
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name(2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2oc3ncnc(N4CCC(O)CC4)c3c2-c2ccccc2)cc1)[C@H]1CCCN1
InChIInChI=1S/C28H29N5O3/c34-21-12-15-33(16-13-21)26-24-23(18-5-2-1-3-6-18)25(36-28(24)31-17-30-26)19-8-10-20(11-9-19)32-27(35)22-7-4-14-29-22/h1-3,5-6,8-11,17,21-22,29,34H,4,7,12-16H2,(H,32,35)/t22-/m1/s1
InChIKeyQHSDINDBAIYCNV-JOCHJYFZSA-N
XLogP4.21
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid
CID 91381525
(2S)-2,5-diamino-N-[4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]phenyl]pentanamide
CID 90941776
tert-butyl N-[(2S)-1-[4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]anilino]-1-oxopropan-2-yl]carbamate
CID 90907553
1-[4-[5-(4-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]furo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 91134713
N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 60710547
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701
(2R)-N-[4-(azepan-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103813730
N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 140698374
[1-[6-(6-chloro-3-pyridinyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamic acid
CID 87955479
(2R)-N-(3,5-diphenylphenyl)pyrrolidine-2-carboxamide
CID 121274963
(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide (CID 90955087) is (2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2oc3ncnc(N4CCC(O)CC4)c3c2-c2ccccc2)cc1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is QHSDINDBAIYCNV-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-21-12-15-33(16-13-21)26-24-23(18-5-2-1-3-6-18)25(36-28(24)31-17-30-26)19-8-10-20(11-9-19)32-27(35)22-7-4-14-29-22/h1-3,5-6,8-11,17,21-22,29,34H,4,7,12-16H2,(H,32,35)/t22-/m1/s1.
What are the key properties of (2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[4-(4-hydroxypiperidin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90955087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).