(3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one

C20H17N7O — CID 71253725

IUPAC(3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one
SMILESN[C@H]1CCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)nc2)C1=O
InChIInChI=1S/C20H17N7O/c21-15-5-7-27(20(15)28)13-3-4-16(23-10-13)19-14-8-17(12-2-1-6-22-9-12)24-11-18(14)25-26-19/h1-4,6,8-11,15H,5,7,21H2,(H,25,26)/t15-/m0/s1
InChIKeyBRDMZVPHNWIUDO-HNNXBMFYSA-N
MW371.40 g/mol
LogP2.15
Rot. Bonds3

About (3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one

(3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one (PubChem CID 71253725) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is (3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one
PubChem CID71253725
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name(3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one
SMILESN[C@H]1CCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)nc2)C1=O
InChIInChI=1S/C20H17N7O/c21-15-5-7-27(20(15)28)13-3-4-16(23-10-13)19-14-8-17(12-2-1-6-22-9-12)24-11-18(14)25-26-19/h1-4,6,8-11,15H,5,7,21H2,(H,25,26)/t15-/m0/s1
InChIKeyBRDMZVPHNWIUDO-HNNXBMFYSA-N
XLogP2.15
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one (CID 71253725) is (3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one is N[C@H]1CCN(c2ccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)nc2)C1=O.
What is the InChIKey of (3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is BRDMZVPHNWIUDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17N7O/c21-15-5-7-27(20(15)28)13-3-4-16(23-10-13)19-14-8-17(12-2-1-6-22-9-12)24-11-18(14)25-26-19/h1-4,6,8-11,15H,5,7,21H2,(H,25,26)/t15-/m0/s1.
What are the key properties of (3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one?
(3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 371.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 71253725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).