N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide

C26H25FN6OS — CID 123208709

IUPACN-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cnc(C2=CCN=C(NCC3(c4ncccc4F)CCC3)C=C2)s1)c1ccccn1
InChIInChI=1S/C26H25FN6OS/c27-20-5-3-13-30-23(20)26(10-4-11-26)17-33-22-8-7-18(9-14-29-22)25-32-16-19(35-25)15-31-24(34)21-6-1-2-12-28-21/h1-3,5-9,12-13,16H,4,10-11,14-15,17H2,(H,29,33)(H,31,34)
InChIKeyPCZSLSXSRZAPBI-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.07
Rot. Bonds7

About N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide

N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 123208709) has the molecular formula C26H25FN6OS and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide
PubChem CID123208709
Molecular FormulaC26H25FN6OS
Molecular Weight488.59 g/mol
Exact Mass488.18
IUPAC NameN-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cnc(C2=CCN=C(NCC3(c4ncccc4F)CCC3)C=C2)s1)c1ccccn1
InChIInChI=1S/C26H25FN6OS/c27-20-5-3-13-30-23(20)26(10-4-11-26)17-33-22-8-7-18(9-14-29-22)25-32-16-19(35-25)15-31-24(34)21-6-1-2-12-28-21/h1-3,5-9,12-13,16H,4,10-11,14-15,17H2,(H,29,33)(H,31,34)
InChIKeyPCZSLSXSRZAPBI-UHFFFAOYSA-N
XLogP4.07
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]methyl]formamide
CID 121286033
N-[[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]methyl]-2-methylpropane-2-sulfinamide
CID 67452874
4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974823
tert-butyl N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-N-[6-[5-[[[2-(methylideneamino)acetyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-yl]carbamate
CID 146976705
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
CID 88899569
3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70975127
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 67453653
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl-[6-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyridazin-3-yl]carbamic acid
CID 67453855
ethyl 2-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 88899815
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 77432036
5-chloro-2-[5-chloro-6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazole-4-carboxylic acid
CID 118498119

Frequently Asked Questions

What is the IUPAC name of N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide (CID 123208709) is N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide is O=C(NCc1cnc(C2=CCN=C(NCC3(c4ncccc4F)CCC3)C=C2)s1)c1ccccn1.
What is the InChIKey of N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide?
The InChIKey is PCZSLSXSRZAPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6OS/c27-20-5-3-13-30-23(20)26(10-4-11-26)17-33-22-8-7-18(9-14-29-22)25-32-16-19(35-25)15-31-24(34)21-6-1-2-12-28-21/h1-3,5-9,12-13,16H,4,10-11,14-15,17H2,(H,29,33)(H,31,34).
What are the key properties of N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide?
N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[7-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-2H-azepin-4-yl]-1,3-thiazol-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 123208709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).