N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine

C25H25N7O — CID 89371331

IUPACN-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine
SMILES[H]/N=C1\CCc2cc(Nc3c(-c4ncc(CN5CCNCC5)cn4)oc4cnccc34)ccc21
InChIInChI=1S/C25H25N7O/c26-21-4-1-17-11-18(2-3-19(17)21)31-23-20-5-6-28-14-22(20)33-24(23)25-29-12-16(13-30-25)15-32-9-7-27-8-10-32/h2-3,5-6,11-14,26-27,31H,1,4,7-10,15H2/b26-21+
InChIKeyBETOGAPATKGRGA-YYADALCUSA-N
MW439.52 g/mol
LogP3.75
Rot. Bonds5

About N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine

N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine (PubChem CID 89371331) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine
PubChem CID89371331
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC NameN-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine
SMILES[H]/N=C1\CCc2cc(Nc3c(-c4ncc(CN5CCNCC5)cn4)oc4cnccc34)ccc21
InChIInChI=1S/C25H25N7O/c26-21-4-1-17-11-18(2-3-19(17)21)31-23-20-5-6-28-14-22(20)33-24(23)25-29-12-16(13-30-25)15-32-9-7-27-8-10-32/h2-3,5-6,11-14,26-27,31H,1,4,7-10,15H2/b26-21+
InChIKeyBETOGAPATKGRGA-YYADALCUSA-N
XLogP3.75
TPSA102.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-[5-[(4-methylpiperazin-1-yl)methyl]pyrimidin-2-yl]furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-one
CID 91490346
N-(1-imino-2,3-dihydroinden-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridin-3-amine
CID 89371363
3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide
CID 89376347
3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide
CID 89376332
3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide
CID 89376408
5-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroisoindol-1-one
CID 91060629
N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
CID 87867933
N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 152781797
4-[3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]benzonitrile
CID 86611091
[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone
CID 58826897
N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine
CID 141413064
[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 89172920

Frequently Asked Questions

What is the IUPAC name of N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine?
The IUPAC name of N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine (CID 89371331) is N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine is [H]/N=C1\CCc2cc(Nc3c(-c4ncc(CN5CCNCC5)cn4)oc4cnccc34)ccc21.
What is the InChIKey of N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine?
The InChIKey is BETOGAPATKGRGA-YYADALCUSA-N. The full InChI is InChI=1S/C25H25N7O/c26-21-4-1-17-11-18(2-3-19(17)21)31-23-20-5-6-28-14-22(20)33-24(23)25-29-12-16(13-30-25)15-32-9-7-27-8-10-32/h2-3,5-6,11-14,26-27,31H,1,4,7-10,15H2/b26-21+.
What are the key properties of N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine?
N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine has a molecular weight of 439.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imino-2,3-dihydroinden-5-yl)-2-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]furo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 89371331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).