4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile

C26H27N7 — CID 45487559

IUPAC4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2ccc(CN3CCN(C)CC3)nc2)ccc2[nH]ccc12
InChIInChI=1S/C26H27N7/c1-18-22-7-8-29-25(22)6-5-24(18)31-26-20(13-27)14-28-16-23(26)19-3-4-21(30-15-19)17-33-11-9-32(2)10-12-33/h3-8,14-16,29H,9-12,17H2,1-2H3,(H,28,31)
InChIKeyRCKVYOXLMHAPMO-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.30
Rot. Bonds5

About 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile

4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile (PubChem CID 45487559) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile
PubChem CID45487559
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC Name4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2ccc(CN3CCN(C)CC3)nc2)ccc2[nH]ccc12
InChIInChI=1S/C26H27N7/c1-18-22-7-8-29-25(22)6-5-24(18)31-26-20(13-27)14-28-16-23(26)19-3-4-21(30-15-19)17-33-11-9-32(2)10-12-33/h3-8,14-16,29H,9-12,17H2,1-2H3,(H,28,31)
InChIKeyRCKVYOXLMHAPMO-UHFFFAOYSA-N
XLogP4.30
TPSA83.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile 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

Serdemetan
CID 11609586
Flortaucipir F-18
CID 70957463
Flortaucipir
CID 71059746
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
Gevotroline
CID 60547
Paprotrain
CID 12248889
5-Vinyl-3-pyridinecarbonitrile, 14b
CID 44473011
3-((4-benzylpiperazino)methyl)-1H-indole
CID 563075
Carvotroline
CID 72038
3-[(4-Phenylpiperazino)methyl]-1h-indole
CID 233952
4-(4-Benzyl-piperazin-1-yl)-1H-indole
CID 2728532
N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
CID 10172517

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile (CID 45487559) is 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile is Cc1c(Nc2c(C#N)cncc2-c2ccc(CN3CCN(C)CC3)nc2)ccc2[nH]ccc12.
What is the InChIKey of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is RCKVYOXLMHAPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7/c1-18-22-7-8-29-25(22)6-5-24(18)31-26-20(13-27)14-28-16-23(26)19-3-4-21(30-15-19)17-33-11-9-32(2)10-12-33/h3-8,14-16,29H,9-12,17H2,1-2H3,(H,28,31).
What are the key properties of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile?
4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 437.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1H-indol-5-yl)amino]-5-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 45487559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).