2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine

C25H21N5O — CID 145251893

IUPAC2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine
SMILES[H]/N=C(\c1cc2c([nH]1)CC(C)=CC=C2c1ccoc1)c1nc(-c2cccnc2)ccc1N
InChIInChI=1S/C25H21N5O/c1-15-4-5-18(17-8-10-31-14-17)19-12-23(29-22(19)11-15)24(27)25-20(26)6-7-21(30-25)16-3-2-9-28-13-16/h2-10,12-14,27,29H,11,26H2,1H3/b27-24+
InChIKeyQMEKIFGAWVQVPT-SOYKGTTHSA-N
MW407.48 g/mol
LogP5.00
Rot. Bonds4

About 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine

2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine (PubChem CID 145251893) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine.

Molecular Properties

Compound Name2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine
PubChem CID145251893
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine
SMILES[H]/N=C(\c1cc2c([nH]1)CC(C)=CC=C2c1ccoc1)c1nc(-c2cccnc2)ccc1N
InChIInChI=1S/C25H21N5O/c1-15-4-5-18(17-8-10-31-14-17)19-12-23(29-22(19)11-15)24(27)25-20(26)6-7-21(30-25)16-3-2-9-28-13-16/h2-10,12-14,27,29H,11,26H2,1H3/b27-24+
InChIKeyQMEKIFGAWVQVPT-SOYKGTTHSA-N
XLogP5.00
TPSA104.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine 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

2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-4-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]aniline
CID 145254204
7-methyl-2-[(2S,3E,4E)-2-methyl-3-(2-methylpropylidene)-4-(2-pyridin-4-ylpropylidene)-2H-pyrrol-5-yl]-4-pyridin-3-yl-1,8-dihydrocyclohepta[b]pyrrole
CID 145246948
5-[(4R)-4-methyl-4H-azepin-6-yl]-3-[7-methyl-4-(5-methylthiophen-2-yl)-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]pyridin-2-amine
CID 145250792
(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanediol
CID 167286870
8-methyl-22-methylidene-18,21,31,32-tetrazahexacyclo[23.3.1.16,9.111,15.116,20.02,7]dotriaconta-1(28),2(7),3,5,8,11,13,15(31),16(30),17,19,25(29),26-tridecaen-12-amine
CID 153375084
6-[4-amino-3-[4-(furan-3-yl)-1H-indole-2-carboximidoyl]phenyl]-N-propan-2-yl-1H-azepin-4-amine
CID 145247953
methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate
CID 137027827
2-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 83709189
3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide
CID 134374715
4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-8-(furan-3-yl)-3,4-dihydrocyclohepta[d]imidazol-5-amine
CID 145036492
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
CID 123808337

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine?
The IUPAC name of 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine (CID 145251893) is 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine.
What is the SMILES notation for 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine?
The canonical SMILES for 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine is [H]/N=C(\c1cc2c([nH]1)CC(C)=CC=C2c1ccoc1)c1nc(-c2cccnc2)ccc1N.
What is the InChIKey of 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine?
The InChIKey is QMEKIFGAWVQVPT-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H21N5O/c1-15-4-5-18(17-8-10-31-14-17)19-12-23(29-22(19)11-15)24(27)25-20(26)6-7-21(30-25)16-3-2-9-28-13-16/h2-10,12-14,27,29H,11,26H2,1H3/b27-24+.
What are the key properties of 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine?
2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine has a molecular weight of 407.48 g/mol, XLogP of 5.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-yl)-7-methyl-1,8-dihydrocyclohepta[b]pyrrole-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine is sourced from PubChem (CID 145251893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).