6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

C19H21N9 — CID 56658839

IUPAC6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cncc(N3CCNCC3)c2)n1
InChIInChI=1S/C19H21N9/c1-13-12-28-17(14-7-23-24-8-14)11-22-19(28)18(25-13)26-15-6-16(10-21-9-15)27-4-2-20-3-5-27/h6-12,20H,2-5H2,1H3,(H,23,24)(H,25,26)
InChIKeyICCDFAGRWOXVCU-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.98
Rot. Bonds4

About 6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 56658839) has the molecular formula C19H21N9 and a molecular weight of 375.44 g/mol. Its IUPAC name is 6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID56658839
Molecular FormulaC19H21N9
Molecular Weight375.44 g/mol
Exact Mass375.19
IUPAC Name6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cncc(N3CCNCC3)c2)n1
InChIInChI=1S/C19H21N9/c1-13-12-28-17(14-7-23-24-8-14)11-22-19(28)18(25-13)26-15-6-16(10-21-9-15)27-4-2-20-3-5-27/h6-12,20H,2-5H2,1H3,(H,23,24)(H,25,26)
InChIKeyICCDFAGRWOXVCU-UHFFFAOYSA-N
XLogP1.98
TPSA99.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 56658839) is 6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cncc(N3CCNCC3)c2)n1.
What is the InChIKey of 6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ICCDFAGRWOXVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9/c1-13-12-28-17(14-7-23-24-8-14)11-22-19(28)18(25-13)26-15-6-16(10-21-9-15)27-4-2-20-3-5-27/h6-12,20H,2-5H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 375.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-piperazin-1-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 56658839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).