N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide

C23H29N5O3 — CID 97448038

IUPACN-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3ccc(N4CCN(C(=O)NC(C)C)CC4)n3c2)o1
InChIInChI=1S/C23H29N5O3/c1-16(2)25-23(30)27-12-10-26(11-13-27)21-9-7-19-6-5-18(15-28(19)21)22(29)24-14-20-8-4-17(3)31-20/h4-9,15-16H,10-14H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyITRUEDUYKHCAEH-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.01
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide

N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide (PubChem CID 97448038) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
PubChem CID97448038
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3ccc(N4CCN(C(=O)NC(C)C)CC4)n3c2)o1
InChIInChI=1S/C23H29N5O3/c1-16(2)25-23(30)27-12-10-26(11-13-27)21-9-7-19-6-5-18(15-28(19)21)22(29)24-14-20-8-4-17(3)31-20/h4-9,15-16H,10-14H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyITRUEDUYKHCAEH-UHFFFAOYSA-N
XLogP3.01
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
CID 97448022
3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97447967
3-[2-methoxyethyl(methyl)amino]-N-[(5-methylfuran-2-yl)methyl]indolizine-6-carboxamide
CID 97441660
3-(4-acetylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97447966
3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide
CID 97447891
N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
CID 97448060
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934712
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024
(3aR,5S,6S,7aS)-5,6-dihydroxy-N-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 119066300
N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 20973698
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide (CID 97448038) is N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide is Cc1ccc(CNC(=O)c2ccc3ccc(N4CCN(C(=O)NC(C)C)CC4)n3c2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide?
The InChIKey is ITRUEDUYKHCAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-16(2)25-23(30)27-12-10-26(11-13-27)21-9-7-19-6-5-18(15-28(19)21)22(29)24-14-20-8-4-17(3)31-20/h4-9,15-16H,10-14H2,1-3H3,(H,24,29)(H,25,30).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide is sourced from PubChem (CID 97448038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).