(2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine

C21H28N8O — CID 121391120

IUPAC(2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](CN)OC)c3)cn3nccc23)cn1
InChIInChI=1S/C21H28N8O/c1-4-17(5-2)28-12-16(10-25-28)21-20-6-7-23-29(20)14-19(26-21)15-9-24-27(11-15)13-18(8-22)30-3/h6-7,9-12,14,17-18H,4-5,8,13,22H2,1-3H3/t18-/m0/s1
InChIKeyOIAGAWSCJMASIN-SFHVURJKSA-N
MW408.51 g/mol
LogP2.79
Rot. Bonds9

About (2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine

(2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine (PubChem CID 121391120) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is (2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
PubChem CID121391120
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name(2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](CN)OC)c3)cn3nccc23)cn1
InChIInChI=1S/C21H28N8O/c1-4-17(5-2)28-12-16(10-25-28)21-20-6-7-23-29(20)14-19(26-21)15-9-24-27(11-15)13-18(8-22)30-3/h6-7,9-12,14,17-18H,4-5,8,13,22H2,1-3H3/t18-/m0/s1
InChIKeyOIAGAWSCJMASIN-SFHVURJKSA-N
XLogP2.79
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
The IUPAC name of (2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine (CID 121391120) is (2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for (2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
The canonical SMILES for (2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](CN)OC)c3)cn3nccc23)cn1.
What is the InChIKey of (2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
The InChIKey is OIAGAWSCJMASIN-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N8O/c1-4-17(5-2)28-12-16(10-25-28)21-20-6-7-23-29(20)14-19(26-21)15-9-24-27(11-15)13-18(8-22)30-3/h6-7,9-12,14,17-18H,4-5,8,13,22H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
(2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine has a molecular weight of 408.51 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 121391120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).