N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride

C12H17Cl2N5O2 — CID 120946416

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CNCC1O)c1nccn2ccnc12
InChIInChI=1S/C12H15N5O2.2ClH/c18-9-7-13-5-8(9)6-16-12(19)10-11-15-2-4-17(11)3-1-14-10;;/h1-4,8-9,13,18H,5-7H2,(H,16,19);2*1H
InChIKeyYYCGLHRCWHXVPH-UHFFFAOYSA-N
MW334.21 g/mol
LogP-0.12
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride (PubChem CID 120946416) has the molecular formula C12H17Cl2N5O2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride
PubChem CID120946416
Molecular FormulaC12H17Cl2N5O2
Molecular Weight334.21 g/mol
Exact Mass333.08
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CNCC1O)c1nccn2ccnc12
InChIInChI=1S/C12H15N5O2.2ClH/c18-9-7-13-5-8(9)6-16-12(19)10-11-15-2-4-17(11)3-1-14-10;;/h1-4,8-9,13,18H,5-7H2,(H,16,19);2*1H
InChIKeyYYCGLHRCWHXVPH-UHFFFAOYSA-N
XLogP-0.12
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
imidazo[1,2-a]pyrazine-8-carbohydrazide
CID 124907820
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 120947554
3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide
CID 120947355
N-[(1-methyl-2-phenylpiperidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 75374708
N-[[(2R,3R)-1-methyl-2-phenylpiperidin-3-yl]methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 97218788
N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120946954
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-methylimidazo[1,2-a]pyrazine-8-carboxamide
CID 130605342
2-(dimethylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-4-carboxamide;dihydrochloride
CID 120945876
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120943217

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride (CID 120946416) is N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CNCC1O)c1nccn2ccnc12.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride?
The InChIKey is YYCGLHRCWHXVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2.2ClH/c18-9-7-13-5-8(9)6-16-12(19)10-11-15-2-4-17(11)3-1-14-10;;/h1-4,8-9,13,18H,5-7H2,(H,16,19);2*1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride has a molecular weight of 334.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyrazine-8-carboxamide;dihydrochloride is sourced from PubChem (CID 120946416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).