2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile

C23H28N6O — CID 118297952

IUPAC2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C23H28N6O/c24-9-8-23(15-28(16-23)22(30)18-13-25-26-14-18)29-10-6-19(7-11-29)27-21-12-20(21)17-4-2-1-3-5-17/h1-5,13-14,19-21,27H,6-8,10-12,15-16H2,(H,25,26)/t20?,21-/m1/s1
InChIKeyTYHVLCMAEMDYCP-BPGUCPLFSA-N
MW404.52 g/mol
LogP2.13
Rot. Bonds6

About 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile

2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile (PubChem CID 118297952) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
PubChem CID118297952
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C23H28N6O/c24-9-8-23(15-28(16-23)22(30)18-13-25-26-14-18)29-10-6-19(7-11-29)27-21-12-20(21)17-4-2-1-3-5-17/h1-5,13-14,19-21,27H,6-8,10-12,15-16H2,(H,25,26)/t20?,21-/m1/s1
InChIKeyTYHVLCMAEMDYCP-BPGUCPLFSA-N
XLogP2.13
TPSA88.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile (CID 118297952) is 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile is N#CCC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile?
The InChIKey is TYHVLCMAEMDYCP-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H28N6O/c24-9-8-23(15-28(16-23)22(30)18-13-25-26-14-18)29-10-6-19(7-11-29)27-21-12-20(21)17-4-2-1-3-5-17/h1-5,13-14,19-21,27H,6-8,10-12,15-16H2,(H,25,26)/t20?,21-/m1/s1.
What are the key properties of 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile?
2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile has a molecular weight of 404.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1H-pyrazole-4-carbonyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 118297952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).