1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine

C23H31N7 — CID 175159451

IUPAC1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine
SMILESCc1cc2cnc(Nc3ccc(N4CCC(N5CCNCC5)CC4)cn3)cc2n1C
InChIInChI=1S/C23H31N7/c1-17-13-18-15-25-23(14-21(18)28(17)2)27-22-4-3-20(16-26-22)29-9-5-19(6-10-29)30-11-7-24-8-12-30/h3-4,13-16,19,24H,5-12H2,1-2H3,(H,25,26,27)
InChIKeyDSGRPYVDLWHZAO-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.89
Rot. Bonds4

About 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine

1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 175159451) has the molecular formula C23H31N7 and a molecular weight of 405.55 g/mol. Its IUPAC name is 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine
PubChem CID175159451
Molecular FormulaC23H31N7
Molecular Weight405.55 g/mol
Exact Mass405.26
IUPAC Name1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine
SMILESCc1cc2cnc(Nc3ccc(N4CCC(N5CCNCC5)CC4)cn3)cc2n1C
InChIInChI=1S/C23H31N7/c1-17-13-18-15-25-23(14-21(18)28(17)2)27-22-4-3-20(16-26-22)29-9-5-19(6-10-29)30-11-7-24-8-12-30/h3-4,13-16,19,24H,5-12H2,1-2H3,(H,25,26,27)
InChIKeyDSGRPYVDLWHZAO-UHFFFAOYSA-N
XLogP2.89
TPSA61.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine with MolForge

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Related Compounds

1-cyclopentyl-3-(124I)iodo-4-methyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 46848028
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299638
N-[5-[4-(azetidin-3-yl)piperazin-1-yl]-2-pyridinyl]-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidin-2-amine;N,N-dimethylformamide;ethane
CID 178005496
4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 154939051
8-cyclopentyl-10-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300068
2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[(5-piperazin-1-yl-2-pyridinyl)amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one;2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[7,8-dihydropyrimido[5,4-b]indolizine-9,1'-cyclohexane]-6-one
CID 159307931
5-chloro-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidin-2-amine
CID 172810197
3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one
CID 135286405
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
CID 177317959
N,N,4-trimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126559115
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 10128284

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine (CID 175159451) is 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine is Cc1cc2cnc(Nc3ccc(N4CCC(N5CCNCC5)CC4)cn3)cc2n1C.
What is the InChIKey of 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is DSGRPYVDLWHZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7/c1-17-13-18-15-25-23(14-21(18)28(17)2)27-22-4-3-20(16-26-22)29-9-5-19(6-10-29)30-11-7-24-8-12-30/h3-4,13-16,19,24H,5-12H2,1-2H3,(H,25,26,27).
What are the key properties of 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine?
1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 405.55 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 175159451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).