1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone

C24H25FN4OS2 — CID 58183102

IUPAC1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone
SMILESCc1cnc(Nc2cc(N3CC[C@H](F)C3)cc(Sc3ccc(CC(=O)C4CC4)cc3)n2)s1
InChIInChI=1S/C24H25FN4OS2/c1-15-13-26-24(31-15)28-22-11-19(29-9-8-18(25)14-29)12-23(27-22)32-20-6-2-16(3-7-20)10-21(30)17-4-5-17/h2-3,6-7,11-13,17-18H,4-5,8-10,14H2,1H3,(H,26,27,28)/t18-/m0/s1
InChIKeyUJVOMAKIVWCQDE-SFHVURJKSA-N
MW468.62 g/mol
LogP5.81
Rot. Bonds8

About 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone

1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone (PubChem CID 58183102) has the molecular formula C24H25FN4OS2 and a molecular weight of 468.62 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone
PubChem CID58183102
Molecular FormulaC24H25FN4OS2
Molecular Weight468.62 g/mol
Exact Mass468.15
IUPAC Name1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone
SMILESCc1cnc(Nc2cc(N3CC[C@H](F)C3)cc(Sc3ccc(CC(=O)C4CC4)cc3)n2)s1
InChIInChI=1S/C24H25FN4OS2/c1-15-13-26-24(31-15)28-22-11-19(29-9-8-18(25)14-29)12-23(27-22)32-20-6-2-16(3-7-20)10-21(30)17-4-5-17/h2-3,6-7,11-13,17-18H,4-5,8-10,14H2,1H3,(H,26,27,28)/t18-/m0/s1
InChIKeyUJVOMAKIVWCQDE-SFHVURJKSA-N
XLogP5.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone with MolForge

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Related Compounds

(4-Amino-2-(pyridin-4-ylamino)thiazol-5-yl)(3-fluorophenyl)methanone
CID 54582365
(4-Amino-2-(pyridin-4-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54585256
(4-Amino-2-(pyridin-4-ylamino)thiazol-5-yl)(4-fluorophenyl)methanone
CID 54587238
1-Ethyl-7-[(5-methyl-1,3-thiazol-2-yl)amino]-3-phenyl-1,6-naphthyridin-2-one
CID 73506798
7-[[5-[2-(Dimethylamino)ethyl]-1,3-thiazol-2-yl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one
CID 73506357
1-Ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one
CID 118271511
4-(4-Fluorophenyl)-1-[2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
CID 110262869
N-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]propanamide
CID 25052746
N-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 25095682
N-[4-[[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 25103434
4,4-difluoro-1-[4-[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-(1,2,4-thiadiazol-5-ylamino)pyrimidin-2-yl]sulfanylphenyl]pentan-2-one
CID 58154337
1-[3-[5-[2-(3-Fluoroanilino)pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]phenyl]-3-thiophen-2-ylpropan-2-one
CID 58236788

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone (CID 58183102) is 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone is Cc1cnc(Nc2cc(N3CC[C@H](F)C3)cc(Sc3ccc(CC(=O)C4CC4)cc3)n2)s1.
What is the InChIKey of 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone?
The InChIKey is UJVOMAKIVWCQDE-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25FN4OS2/c1-15-13-26-24(31-15)28-22-11-19(29-9-8-18(25)14-29)12-23(27-22)32-20-6-2-16(3-7-20)10-21(30)17-4-5-17/h2-3,6-7,11-13,17-18H,4-5,8-10,14H2,1H3,(H,26,27,28)/t18-/m0/s1.
What are the key properties of 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone?
1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone has a molecular weight of 468.62 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]sulfanyl]phenyl]ethanone is sourced from PubChem (CID 58183102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).