3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one

C17H20ClN7O — CID 150620641

IUPAC3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
SMILESCC1(N)CCN(c2cc(=O)c3c(-c4ccnc(N)c4Cl)[nH]nc3[nH]2)CC1
InChIInChI=1S/C17H20ClN7O/c1-17(20)3-6-25(7-4-17)11-8-10(26)12-14(23-24-16(12)22-11)9-2-5-21-15(19)13(9)18/h2,5,8H,3-4,6-7,20H2,1H3,(H2,19,21)(H2,22,23,24,26)
InChIKeyIVVCBOKTIRZFAA-UHFFFAOYSA-N
MW373.85 g/mol
LogP1.87
Rot. Bonds2

About 3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one

3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one (PubChem CID 150620641) has the molecular formula C17H20ClN7O and a molecular weight of 373.85 g/mol. Its IUPAC name is 3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
PubChem CID150620641
Molecular FormulaC17H20ClN7O
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC Name3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
SMILESCC1(N)CCN(c2cc(=O)c3c(-c4ccnc(N)c4Cl)[nH]nc3[nH]2)CC1
InChIInChI=1S/C17H20ClN7O/c1-17(20)3-6-25(7-4-17)11-8-10(26)12-14(23-24-16(12)22-11)9-2-5-21-15(19)13(9)18/h2,5,8H,3-4,6-7,20H2,1H3,(H2,19,21)(H2,22,23,24,26)
InChIKeyIVVCBOKTIRZFAA-UHFFFAOYSA-N
XLogP1.87
TPSA129.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The IUPAC name of 3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one (CID 150620641) is 3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one.
What is the SMILES notation for 3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The canonical SMILES for 3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one is CC1(N)CCN(c2cc(=O)c3c(-c4ccnc(N)c4Cl)[nH]nc3[nH]2)CC1.
What is the InChIKey of 3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The InChIKey is IVVCBOKTIRZFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O/c1-17(20)3-6-25(7-4-17)11-8-10(26)12-14(23-24-16(12)22-11)9-2-5-21-15(19)13(9)18/h2,5,8H,3-4,6-7,20H2,1H3,(H2,19,21)(H2,22,23,24,26).
What are the key properties of 3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one has a molecular weight of 373.85 g/mol, XLogP of 1.87, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-chloro-4-pyridinyl)-6-(4-amino-4-methylpiperidin-1-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one is sourced from PubChem (CID 150620641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).