3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide

C19H20N8O2 — CID 139358033

IUPAC3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESNC(=O)c1cn2c(-c3nccc(N4CCC(=O)N5CCCC5C4)n3)cnc2cn1
InChIInChI=1S/C19H20N8O2/c20-18(29)13-11-27-14(8-23-16(27)9-22-13)19-21-5-3-15(24-19)25-7-4-17(28)26-6-1-2-12(26)10-25/h3,5,8-9,11-12H,1-2,4,6-7,10H2,(H2,20,29)
InChIKeyKYHZLYVOGGGJHM-UHFFFAOYSA-N
MW392.42 g/mol
LogP0.49
Rot. Bonds3

About 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide

3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 139358033) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID139358033
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESNC(=O)c1cn2c(-c3nccc(N4CCC(=O)N5CCCC5C4)n3)cnc2cn1
InChIInChI=1S/C19H20N8O2/c20-18(29)13-11-27-14(8-23-16(27)9-22-13)19-21-5-3-15(24-19)25-7-4-17(28)26-6-1-2-12(26)10-25/h3,5,8-9,11-12H,1-2,4,6-7,10H2,(H2,20,29)
InChIKeyKYHZLYVOGGGJHM-UHFFFAOYSA-N
XLogP0.49
TPSA122.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

3-[4-(3-sulfanylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 139358030
2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 139357990
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139357749
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139358253
1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344807
(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 67256778
(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344396
(3S)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343966
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 167201942
3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139357815
1-tert-butyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]triazole-4-carboxamide
CID 139359788

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 139358033) is 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide is NC(=O)c1cn2c(-c3nccc(N4CCC(=O)N5CCCC5C4)n3)cnc2cn1.
What is the InChIKey of 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is KYHZLYVOGGGJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c20-18(29)13-11-27-14(8-23-16(27)9-22-13)19-21-5-3-15(24-19)25-7-4-17(28)26-6-1-2-12(26)10-25/h3,5,8-9,11-12H,1-2,4,6-7,10H2,(H2,20,29).
What are the key properties of 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 139358033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).