5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C24H26N10 — CID 168773982

IUPAC5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(CNc3ncc4c(-c5ccc6nnn(C)c6c5)c[nH]c4n3)cn2)CC1
InChIInChI=1S/C24H26N10/c1-32-7-9-34(10-8-32)22-6-3-16(12-25-22)13-27-24-28-15-19-18(14-26-23(19)29-24)17-4-5-20-21(11-17)33(2)31-30-20/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,26,27,28,29)
InChIKeyJJIXKCAOXVYLEX-UHFFFAOYSA-N
MW454.54 g/mol
LogP2.67
Rot. Bonds5

About 5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773982) has the molecular formula C24H26N10 and a molecular weight of 454.54 g/mol. Its IUPAC name is 5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773982
Molecular FormulaC24H26N10
Molecular Weight454.54 g/mol
Exact Mass454.23
IUPAC Name5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(CNc3ncc4c(-c5ccc6nnn(C)c6c5)c[nH]c4n3)cn2)CC1
InChIInChI=1S/C24H26N10/c1-32-7-9-34(10-8-32)22-6-3-16(12-25-22)13-27-24-28-15-19-18(14-26-23(19)29-24)17-4-5-20-21(11-17)33(2)31-30-20/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,26,27,28,29)
InChIKeyJJIXKCAOXVYLEX-UHFFFAOYSA-N
XLogP2.67
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-imidazo[1,2-a]pyridin-6-yl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773212
5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773752
[5-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
CID 168773776
N-(2-cyclopropyl-2,2-difluoroethyl)-5-(3-ethylbenzotriazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773186
N,N-dimethyl-4-[[5-(3-methylbenzotriazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 168773252
N-[(2S)-butan-2-yl]-5-(3-ethylbenzotriazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773898
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 154655048
5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774235
6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine
CID 133468020
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-quinolin-6-ylpyrimidin-2-amine
CID 129033196
5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773612
6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyridin-2-amine
CID 133481724

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773982) is 5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CN1CCN(c2ccc(CNc3ncc4c(-c5ccc6nnn(C)c6c5)c[nH]c4n3)cn2)CC1.
What is the InChIKey of 5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is JJIXKCAOXVYLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N10/c1-32-7-9-34(10-8-32)22-6-3-16(12-25-22)13-27-24-28-15-19-18(14-26-23(19)29-24)17-4-5-20-21(11-17)33(2)31-30-20/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 454.54 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).