3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide

C19H21N7O2 — CID 146737854

IUPAC3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCC(=O)CC1CCCN(c2ccnc(-c3cnc4cnc(C(N)=O)cn34)n2)C1
InChIInChI=1S/C19H21N7O2/c1-12(27)7-13-3-2-6-25(10-13)16-4-5-21-19(24-16)15-8-23-17-9-22-14(18(20)28)11-26(15)17/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H2,20,28)
InChIKeyRJTYHZUPYHKULQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.48
Rot. Bonds5

About 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide

3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 146737854) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID146737854
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCC(=O)CC1CCCN(c2ccnc(-c3cnc4cnc(C(N)=O)cn34)n2)C1
InChIInChI=1S/C19H21N7O2/c1-12(27)7-13-3-2-6-25(10-13)16-4-5-21-19(24-16)15-8-23-17-9-22-14(18(20)28)11-26(15)17/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H2,20,28)
InChIKeyRJTYHZUPYHKULQ-UHFFFAOYSA-N
XLogP1.48
TPSA119.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

N-tert-butyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 44415532
2-Ethyl-9-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72873354
2-(2-{1-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)carbonyl]-4-piperidinyl}-1H-imidazol-1-yl)acetamide
CID 72852161
9-(Imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72866266
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide
CID 139343257
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-methylpiperidine-3-carboxamide
CID 139357698
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139357749
3-[1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 139357757
1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139357799
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 139357987
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide
CID 139358001
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139358253

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 146737854) is 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide is CC(=O)CC1CCCN(c2ccnc(-c3cnc4cnc(C(N)=O)cn34)n2)C1.
What is the InChIKey of 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is RJTYHZUPYHKULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-12(27)7-13-3-2-6-25(10-13)16-4-5-21-19(24-16)15-8-23-17-9-22-14(18(20)28)11-26(15)17/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H2,20,28).
What are the key properties of 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(2-oxopropyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 146737854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).