N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide

C26H25FN4O3S — CID 25121058

IUPACN-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NC[C@@H]2CCCN2C(=O)c2nc(C3CC3)sc2-c2ccc(F)cc2)cc2occc21
InChIInChI=1S/C26H25FN4O3S/c1-30-19-10-12-34-21(19)13-20(30)24(32)28-14-18-3-2-11-31(18)26(33)22-23(15-6-8-17(27)9-7-15)35-25(29-22)16-4-5-16/h6-10,12-13,16,18H,2-5,11,14H2,1H3,(H,28,32)/t18-/m0/s1
InChIKeyLNEMGVQYLBUMQR-SFHVURJKSA-N
MW492.58 g/mol
LogP4.95
Rot. Bonds6

About N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide

N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 25121058) has the molecular formula C26H25FN4O3S and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide
PubChem CID25121058
Molecular FormulaC26H25FN4O3S
Molecular Weight492.58 g/mol
Exact Mass492.16
IUPAC NameN-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NC[C@@H]2CCCN2C(=O)c2nc(C3CC3)sc2-c2ccc(F)cc2)cc2occc21
InChIInChI=1S/C26H25FN4O3S/c1-30-19-10-12-34-21(19)13-20(30)24(32)28-14-18-3-2-11-31(18)26(33)22-23(15-6-8-17(27)9-7-15)35-25(29-22)16-4-5-16/h6-10,12-13,16,18H,2-5,11,14H2,1H3,(H,28,32)/t18-/m0/s1
InChIKeyLNEMGVQYLBUMQR-SFHVURJKSA-N
XLogP4.95
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-1-methylindole-4-carboxamide
CID 25121059
N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25119659
3,5-difluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]benzamide
CID 10162424
N-[[(2S)-1-[2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25121400
thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
CID 68613044
N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018139
(5-fluoro-1-methylindol-2-yl) N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
CID 68613855
N-[[(2S)-1-[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide
CID 25119658
N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide
CID 91342643
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017
N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]isoquinoline-1-carboxamide
CID 91046051
N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide
CID 140553059

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide (CID 25121058) is N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)NC[C@@H]2CCCN2C(=O)c2nc(C3CC3)sc2-c2ccc(F)cc2)cc2occc21.
What is the InChIKey of N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LNEMGVQYLBUMQR-SFHVURJKSA-N. The full InChI is InChI=1S/C26H25FN4O3S/c1-30-19-10-12-34-21(19)13-20(30)24(32)28-14-18-3-2-11-31(18)26(33)22-23(15-6-8-17(27)9-7-15)35-25(29-22)16-4-5-16/h6-10,12-13,16,18H,2-5,11,14H2,1H3,(H,28,32)/t18-/m0/s1.
What are the key properties of N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide?
N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 25121058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).