N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine

C27H36N8 — CID 155226059

IUPACN-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine
SMILESCc1c(-c2[nH]c3ccc(N4CCN(CCNC5CC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H36N8/c1-17(2)24-25(21-15-35-27(29-16-30-35)19(4)18(21)3)31-22-7-8-23(32-26(22)24)34-13-11-33(12-14-34)10-9-28-20-5-6-20/h7-8,15-17,20,28,31H,5-6,9-14H2,1-4H3
InChIKeyQGNMGOOEDXUIJD-UHFFFAOYSA-N
MW472.64 g/mol
LogP3.89
Rot. Bonds7

About N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine

N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine (PubChem CID 155226059) has the molecular formula C27H36N8 and a molecular weight of 472.64 g/mol. Its IUPAC name is N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine
PubChem CID155226059
Molecular FormulaC27H36N8
Molecular Weight472.64 g/mol
Exact Mass472.31
IUPAC NameN-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine
SMILESCc1c(-c2[nH]c3ccc(N4CCN(CCNC5CC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H36N8/c1-17(2)24-25(21-15-35-27(29-16-30-35)19(4)18(21)3)31-22-7-8-23(32-26(22)24)34-13-11-33(12-14-34)10-9-28-20-5-6-20/h7-8,15-17,20,28,31H,5-6,9-14H2,1-4H3
InChIKeyQGNMGOOEDXUIJD-UHFFFAOYSA-N
XLogP3.89
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine (CID 155226059) is N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine is Cc1c(-c2[nH]c3ccc(N4CCN(CCNC5CC5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine?
The InChIKey is QGNMGOOEDXUIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8/c1-17(2)24-25(21-15-35-27(29-16-30-35)19(4)18(21)3)31-22-7-8-23(32-26(22)24)34-13-11-33(12-14-34)10-9-28-20-5-6-20/h7-8,15-17,20,28,31H,5-6,9-14H2,1-4H3.
What are the key properties of N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine?
N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine has a molecular weight of 472.64 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 155226059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).