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

C18H13N7 — CID 71196462

IUPACN-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine
SMILESc1cnc2ccc(Nc3nccn4c(-c5cn[nH]c5)cnc34)cc2c1
InChIInChI=1S/C18H13N7/c1-2-12-8-14(3-4-15(12)19-5-1)24-17-18-21-11-16(13-9-22-23-10-13)25(18)7-6-20-17/h1-11H,(H,20,24)(H,22,23)
InChIKeyMQIFGULVVLCDRR-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.41
Rot. Bonds3

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

N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine (PubChem CID 71196462) has the molecular formula C18H13N7 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine
PubChem CID71196462
Molecular FormulaC18H13N7
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC NameN-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine
SMILESc1cnc2ccc(Nc3nccn4c(-c5cn[nH]c5)cnc34)cc2c1
InChIInChI=1S/C18H13N7/c1-2-12-8-14(3-4-15(12)19-5-1)24-17-18-21-11-16(13-9-22-23-10-13)25(18)7-6-20-17/h1-11H,(H,20,24)(H,22,23)
InChIKeyMQIFGULVVLCDRR-UHFFFAOYSA-N
XLogP3.41
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine?
The IUPAC name of N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine (CID 71196462) is N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine.
What is the SMILES notation for N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine?
The canonical SMILES for N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine is c1cnc2ccc(Nc3nccn4c(-c5cn[nH]c5)cnc34)cc2c1.
What is the InChIKey of N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine?
The InChIKey is MQIFGULVVLCDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7/c1-2-12-8-14(3-4-15(12)19-5-1)24-17-18-21-11-16(13-9-22-23-10-13)25(18)7-6-20-17/h1-11H,(H,20,24)(H,22,23).
What are the key properties of N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine?
N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine has a molecular weight of 327.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine is sourced from PubChem (CID 71196462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).