N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

C25H25N7O3 — CID 56673644

IUPACN-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESCn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1
InChIInChI=1S/C25H25N7O3/c1-29-14-17(13-27-29)22-19(8-5-9-26-22)28-24(34)30-10-11-31-21(15-30)23(33)32(25(31)35)20-12-18(20)16-6-3-2-4-7-16/h2-9,13-14,18,20-21H,10-12,15H2,1H3,(H,28,34)/t18-,20+,21?/m1/s1
InChIKeyNQIWBUPDEBOLPX-LGWYJFNUSA-N
MW471.52 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 56673644) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID56673644
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC NameN-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESCn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1
InChIInChI=1S/C25H25N7O3/c1-29-14-17(13-27-29)22-19(8-5-9-26-22)28-24(34)30-10-11-31-21(15-30)23(33)32(25(31)35)20-12-18(20)16-6-3-2-4-7-16/h2-9,13-14,18,20-21H,10-12,15H2,1H3,(H,28,34)/t18-,20+,21?/m1/s1
InChIKeyNQIWBUPDEBOLPX-LGWYJFNUSA-N
XLogP2.52
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 56673644) is N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is Cn1cc(-c2ncccc2NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)C3C2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is NQIWBUPDEBOLPX-LGWYJFNUSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-29-14-17(13-27-29)22-19(8-5-9-26-22)28-24(34)30-10-11-31-21(15-30)23(33)32(25(31)35)20-12-18(20)16-6-3-2-4-7-16/h2-9,13-14,18,20-21H,10-12,15H2,1H3,(H,28,34)/t18-,20+,21?/m1/s1.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 56673644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).