N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide

C25H36N8O3 — CID 59508250

IUPACN-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide
SMILESC[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4cnccn4)n[nH]c3C2(C)C)[C@@H](C)CN1CC1CCOCC1
InChIInChI=1S/C25H36N8O3/c1-16-13-32(17(2)12-31(16)14-18-5-9-36-10-6-18)24(35)33-15-19-21(25(33,3)4)29-30-22(19)28-23(34)20-11-26-7-8-27-20/h7-8,11,16-18H,5-6,9-10,12-15H2,1-4H3,(H2,28,29,30,34)/t16-,17+/m1/s1
InChIKeyRBAJTZRKAYVXGN-SJORKVTESA-N
MW496.62 g/mol
LogP2.44
Rot. Bonds4

About N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide

N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide (PubChem CID 59508250) has the molecular formula C25H36N8O3 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide
PubChem CID59508250
Molecular FormulaC25H36N8O3
Molecular Weight496.62 g/mol
Exact Mass496.29
IUPAC NameN-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide
SMILESC[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4cnccn4)n[nH]c3C2(C)C)[C@@H](C)CN1CC1CCOCC1
InChIInChI=1S/C25H36N8O3/c1-16-13-32(17(2)12-31(16)14-18-5-9-36-10-6-18)24(35)33-15-19-21(25(33,3)4)29-30-22(19)28-23(34)20-11-26-7-8-27-20/h7-8,11,16-18H,5-6,9-10,12-15H2,1-4H3,(H2,28,29,30,34)/t16-,17+/m1/s1
InChIKeyRBAJTZRKAYVXGN-SJORKVTESA-N
XLogP2.44
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide (CID 59508250) is N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide is C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4cnccn4)n[nH]c3C2(C)C)[C@@H](C)CN1CC1CCOCC1.
What is the InChIKey of N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide?
The InChIKey is RBAJTZRKAYVXGN-SJORKVTESA-N. The full InChI is InChI=1S/C25H36N8O3/c1-16-13-32(17(2)12-31(16)14-18-5-9-36-10-6-18)24(35)33-15-19-21(25(33,3)4)29-30-22(19)28-23(34)20-11-26-7-8-27-20/h7-8,11,16-18H,5-6,9-10,12-15H2,1-4H3,(H2,28,29,30,34)/t16-,17+/m1/s1.
What are the key properties of N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide?
N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide has a molecular weight of 496.62 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 59508250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).