azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone

C17H17N7O — CID 163211459

IUPACazetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone
SMILESNc1nccc(-c2cnn(-c3ccc(C(=O)N4CCC4)cn3)c2)c1N
InChIInChI=1S/C17H17N7O/c18-15-13(4-5-20-16(15)19)12-9-22-24(10-12)14-3-2-11(8-21-14)17(25)23-6-1-7-23/h2-5,8-10H,1,6-7,18H2,(H2,19,20)
InChIKeyYKHAGLRSGCOPBZ-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.34
Rot. Bonds3

About azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone

azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone (PubChem CID 163211459) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone
PubChem CID163211459
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Nameazetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone
SMILESNc1nccc(-c2cnn(-c3ccc(C(=O)N4CCC4)cn3)c2)c1N
InChIInChI=1S/C17H17N7O/c18-15-13(4-5-20-16(15)19)12-9-22-24(10-12)14-3-2-11(8-21-14)17(25)23-6-1-7-23/h2-5,8-10H,1,6-7,18H2,(H2,19,20)
InChIKeyYKHAGLRSGCOPBZ-UHFFFAOYSA-N
XLogP1.34
TPSA115.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

ethane;methyl 6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxylate
CID 155730451
[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-(azetidin-1-yl)methanone
CID 118660637
6-(4-aminopyrazol-1-yl)pyridine-3-carboxamide
CID 61174850
2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide
CID 155357005
6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid
CID 61036048
azocan-1-yl-[4-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]phenyl]methanone
CID 122560039
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110090789
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 134700221
[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-(1-methylsulfonylpiperidin-4-yl)methanone;(6-bromo-3-pyridinyl)-(1-methylsulfonylpiperidin-4-yl)methanone;3-nitro-4-(1H-pyrazol-4-yl)pyridin-2-amine
CID 167675588
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone?
The IUPAC name of azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone (CID 163211459) is azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone.
What is the SMILES notation for azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone?
The canonical SMILES for azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone is Nc1nccc(-c2cnn(-c3ccc(C(=O)N4CCC4)cn3)c2)c1N.
What is the InChIKey of azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone?
The InChIKey is YKHAGLRSGCOPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c18-15-13(4-5-20-16(15)19)12-9-22-24(10-12)14-3-2-11(8-21-14)17(25)23-6-1-7-23/h2-5,8-10H,1,6-7,18H2,(H2,19,20).
What are the key properties of azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone?
azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone has a molecular weight of 335.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 163211459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).