(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide

C18H19N5O — CID 94181192

IUPAC(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)N3CC[C@H]3c3ccccc3)cc12
InChIInChI=1S/C18H19N5O/c1-12-15-10-14(11-19-17(15)22(2)21-12)20-18(24)23-9-8-16(23)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyFGFSWLCBUSGZQP-INIZCTEOSA-N
MW321.38 g/mol
LogP3.26
Rot. Bonds2

About (2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide

(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide (PubChem CID 94181192) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide
PubChem CID94181192
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)N3CC[C@H]3c3ccccc3)cc12
InChIInChI=1S/C18H19N5O/c1-12-15-10-14(11-19-17(15)22(2)21-12)20-18(24)23-9-8-16(23)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyFGFSWLCBUSGZQP-INIZCTEOSA-N
XLogP3.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide?
The IUPAC name of (2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide (CID 94181192) is (2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide?
The canonical SMILES for (2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide is Cc1nn(C)c2ncc(NC(=O)N3CC[C@H]3c3ccccc3)cc12.
What is the InChIKey of (2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide?
The InChIKey is FGFSWLCBUSGZQP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-15-10-14(11-19-17(15)22(2)21-12)20-18(24)23-9-8-16(23)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide?
(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 94181192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).