1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol

C24H22N6O — CID 147069990

IUPAC1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(c2ccc(Nc3nc(-c4cnc5c(c4)CC=C5)cn4ccnc34)cc2)C1
InChIInChI=1S/C24H22N6O/c1-24(31)14-30(15-24)19-7-5-18(6-8-19)27-22-23-25-9-10-29(23)13-21(28-22)17-11-16-3-2-4-20(16)26-12-17/h2,4-13,31H,3,14-15H2,1H3,(H,27,28)
InChIKeyBEVWFNCHHJWATO-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.68
Rot. Bonds4

About 1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol

1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol (PubChem CID 147069990) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol
PubChem CID147069990
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(c2ccc(Nc3nc(-c4cnc5c(c4)CC=C5)cn4ccnc34)cc2)C1
InChIInChI=1S/C24H22N6O/c1-24(31)14-30(15-24)19-7-5-18(6-8-19)27-22-23-25-9-10-29(23)13-21(28-22)17-11-16-3-2-4-20(16)26-12-17/h2,4-13,31H,3,14-15H2,1H3,(H,27,28)
InChIKeyBEVWFNCHHJWATO-UHFFFAOYSA-N
XLogP3.68
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 147088426
5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one
CID 153260150
7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 59473240
1-[4-[[6-(1,3-benzothiazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol
CID 59473346
(3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol
CID 153240462
6-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-3,3-dimethyl-1H-indol-2-one
CID 59473614
(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol
CID 59473243
(3S)-3-hydroxy-3-methyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-inden-2-one
CID 158668845
N-[6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 158104617
6-(3H-isoindol-5-yl)-N-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147798212
1-(3-hydroxy-3-methylazetidin-1-yl)-2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanone
CID 153092073
6-(5-ethyl-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147813694

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol (CID 147069990) is 1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol is CC1(O)CN(c2ccc(Nc3nc(-c4cnc5c(c4)CC=C5)cn4ccnc34)cc2)C1.
What is the InChIKey of 1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol?
The InChIKey is BEVWFNCHHJWATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-24(31)14-30(15-24)19-7-5-18(6-8-19)27-22-23-25-9-10-29(23)13-21(28-22)17-11-16-3-2-4-20(16)26-12-17/h2,4-13,31H,3,14-15H2,1H3,(H,27,28).
What are the key properties of 1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol?
1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol has a molecular weight of 410.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 147069990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).