(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine

C19H20N8 — CID 71253906

IUPAC(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine
SMILESCn1cc(-c2cc3c(-c4cccc(N5CC[C@@H](N)C5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C19H20N8/c1-26-10-12(8-22-26)16-7-14-17(9-21-16)24-25-19(14)15-3-2-4-18(23-15)27-6-5-13(20)11-27/h2-4,7-10,13H,5-6,11,20H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyNVIMRDPIWGJULC-CYBMUJFWSA-N
MW360.43 g/mol
LogP1.96
Rot. Bonds3

About (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine

(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 71253906) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine
PubChem CID71253906
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine
SMILESCn1cc(-c2cc3c(-c4cccc(N5CC[C@@H](N)C5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C19H20N8/c1-26-10-12(8-22-26)16-7-14-17(9-21-16)24-25-19(14)15-3-2-4-18(23-15)27-6-5-13(20)11-27/h2-4,7-10,13H,5-6,11,20H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyNVIMRDPIWGJULC-CYBMUJFWSA-N
XLogP1.96
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine (CID 71253906) is (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine is Cn1cc(-c2cc3c(-c4cccc(N5CC[C@@H](N)C5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is NVIMRDPIWGJULC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N8/c1-26-10-12(8-22-26)16-7-14-17(9-21-16)24-25-19(14)15-3-2-4-18(23-15)27-6-5-13(20)11-27/h2-4,7-10,13H,5-6,11,20H2,1H3,(H,24,25)/t13-/m1/s1.
What are the key properties of (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine?
(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 360.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 71253906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).