(2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide

C25H27FN6OS — CID 169109163

IUPAC(2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCN1C=CCC2=C1C=C(Nc1ncc(-c3ncccc3F)s1)CC=C2)[C@@H]1CCCN1
InChIInChI=1S/C25H27FN6OS/c26-19-8-2-11-28-23(19)22-16-30-25(34-22)31-18-7-1-5-17-6-4-13-32(21(17)15-18)14-12-29-24(33)20-9-3-10-27-20/h1-2,4-5,8,11,13,15-16,20,27H,3,6-7,9-10,12,14H2,(H,29,33)(H,30,31)/t20-/m0/s1
InChIKeyQPKUQFVONNEFMR-FQEVSTJZSA-N
MW478.60 g/mol
LogP3.94
Rot. Bonds7

About (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide

(2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 169109163) has the molecular formula C25H27FN6OS and a molecular weight of 478.60 g/mol. Its IUPAC name is (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID169109163
Molecular FormulaC25H27FN6OS
Molecular Weight478.60 g/mol
Exact Mass478.20
IUPAC Name(2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCN1C=CCC2=C1C=C(Nc1ncc(-c3ncccc3F)s1)CC=C2)[C@@H]1CCCN1
InChIInChI=1S/C25H27FN6OS/c26-19-8-2-11-28-23(19)22-16-30-25(34-22)31-18-7-1-5-17-6-4-13-32(21(17)15-18)14-12-29-24(33)20-9-3-10-27-20/h1-2,4-5,8,11,13,15-16,20,27H,3,6-7,9-10,12,14H2,(H,29,33)(H,30,31)/t20-/m0/s1
InChIKeyQPKUQFVONNEFMR-FQEVSTJZSA-N
XLogP3.94
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

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N-(5-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
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N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299555
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 66927107
N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide
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(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
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N-(pyridin-2-ylmethyl)azocane-2-carboxamide
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CID 110481257

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide (CID 169109163) is (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide is O=C(NCCN1C=CCC2=C1C=C(Nc1ncc(-c3ncccc3F)s1)CC=C2)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is QPKUQFVONNEFMR-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27FN6OS/c26-19-8-2-11-28-23(19)22-16-30-25(34-22)31-18-7-1-5-17-6-4-13-32(21(17)15-18)14-12-29-24(33)20-9-3-10-27-20/h1-2,4-5,8,11,13,15-16,20,27H,3,6-7,9-10,12,14H2,(H,29,33)(H,30,31)/t20-/m0/s1.
What are the key properties of (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[8-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4,7-dihydrocyclohepta[b]pyridin-1-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 169109163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).