N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide

C19H23N7O2 — CID 90192083

IUPACN-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1ccn(C2CCOCC2)n1
InChIInChI=1S/C19H23N7O2/c27-19(16-2-8-26(23-16)15-3-11-28-12-4-15)22-14-1-7-25(13-14)18-17-20-5-9-24(17)10-6-21-18/h2,5-6,8-10,14-15H,1,3-4,7,11-13H2,(H,22,27)/t14-/m0/s1
InChIKeyOCOOOGUEHCWMEB-AWEZNQCLSA-N
MW381.44 g/mol
LogP1.29
Rot. Bonds4

About N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide

N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide (PubChem CID 90192083) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide
PubChem CID90192083
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1ccn(C2CCOCC2)n1
InChIInChI=1S/C19H23N7O2/c27-19(16-2-8-26(23-16)15-3-11-28-12-4-15)22-14-1-7-25(13-14)18-17-20-5-9-24(17)10-6-21-18/h2,5-6,8-10,14-15H,1,3-4,7,11-13H2,(H,22,27)/t14-/m0/s1
InChIKeyOCOOOGUEHCWMEB-AWEZNQCLSA-N
XLogP1.29
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide (CID 90192083) is N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide is O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1ccn(C2CCOCC2)n1.
What is the InChIKey of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is OCOOOGUEHCWMEB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N7O2/c27-19(16-2-8-26(23-16)15-3-11-28-12-4-15)22-14-1-7-25(13-14)18-17-20-5-9-24(17)10-6-21-18/h2,5-6,8-10,14-15H,1,3-4,7,11-13H2,(H,22,27)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide?
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-(oxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 90192083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).