3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide

C22H26N8O2 — CID 170222065

IUPAC3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide
SMILESCC1(C)Cc2c(-c3cc(-c4cnc(N)c(C(=O)NC5CNCC5O)n4)ccn3)cnn2C1
InChIInChI=1S/C22H26N8O2/c1-22(2)6-17-13(7-27-30(17)11-22)14-5-12(3-4-25-14)15-9-26-20(23)19(28-15)21(32)29-16-8-24-10-18(16)31/h3-5,7,9,16,18,24,31H,6,8,10-11H2,1-2H3,(H2,23,26)(H,29,32)
InChIKeyNLXXLYZJXLJRPX-UHFFFAOYSA-N
MW434.50 g/mol
LogP0.63
Rot. Bonds4

About 3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide

3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide (PubChem CID 170222065) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide
PubChem CID170222065
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide
SMILESCC1(C)Cc2c(-c3cc(-c4cnc(N)c(C(=O)NC5CNCC5O)n4)ccn3)cnn2C1
InChIInChI=1S/C22H26N8O2/c1-22(2)6-17-13(7-27-30(17)11-22)14-5-12(3-4-25-14)15-9-26-20(23)19(28-15)21(32)29-16-8-24-10-18(16)31/h3-5,7,9,16,18,24,31H,6,8,10-11H2,1-2H3,(H2,23,26)(H,29,32)
InChIKeyNLXXLYZJXLJRPX-UHFFFAOYSA-N
XLogP0.63
TPSA143.87 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide (CID 170222065) is 3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide is CC1(C)Cc2c(-c3cc(-c4cnc(N)c(C(=O)NC5CNCC5O)n4)ccn3)cnn2C1.
What is the InChIKey of 3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide?
The InChIKey is NLXXLYZJXLJRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-22(2)6-17-13(7-27-30(17)11-22)14-5-12(3-4-25-14)15-9-26-20(23)19(28-15)21(32)29-16-8-24-10-18(16)31/h3-5,7,9,16,18,24,31H,6,8,10-11H2,1-2H3,(H2,23,26)(H,29,32).
What are the key properties of 3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide?
3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 170222065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).