7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile

C22H23N5O2 — CID 163499818

IUPAC7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile
SMILESN#CC1=C(N2CC[C@@H](n3cccn3)C2)c2cc(N3CCOCC3)ccc2CC1=O
InChIInChI=1S/C22H23N5O2/c23-14-20-21(28)12-16-2-3-17(25-8-10-29-11-9-25)13-19(16)22(20)26-7-4-18(15-26)27-6-1-5-24-27/h1-3,5-6,13,18H,4,7-12,15H2/t18-/m1/s1
InChIKeyCTTGTNOBGHEQCX-GOSISDBHSA-N
MW389.46 g/mol
LogP2.03
Rot. Bonds3

About 7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile

7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile (PubChem CID 163499818) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile
PubChem CID163499818
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile
SMILESN#CC1=C(N2CC[C@@H](n3cccn3)C2)c2cc(N3CCOCC3)ccc2CC1=O
InChIInChI=1S/C22H23N5O2/c23-14-20-21(28)12-16-2-3-17(25-8-10-29-11-9-25)13-19(16)22(20)26-7-4-18(15-26)27-6-1-5-24-27/h1-3,5-6,13,18H,4,7-12,15H2/t18-/m1/s1
InChIKeyCTTGTNOBGHEQCX-GOSISDBHSA-N
XLogP2.03
TPSA74.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile?
The IUPAC name of 7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile (CID 163499818) is 7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile.
What is the SMILES notation for 7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile?
The canonical SMILES for 7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile is N#CC1=C(N2CC[C@@H](n3cccn3)C2)c2cc(N3CCOCC3)ccc2CC1=O.
What is the InChIKey of 7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile?
The InChIKey is CTTGTNOBGHEQCX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-14-20-21(28)12-16-2-3-17(25-8-10-29-11-9-25)13-19(16)22(20)26-7-4-18(15-26)27-6-1-5-24-27/h1-3,5-6,13,18H,4,7-12,15H2/t18-/m1/s1.
What are the key properties of 7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile?
7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile has a molecular weight of 389.46 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-3-oxo-1-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-4H-naphthalene-2-carbonitrile is sourced from PubChem (CID 163499818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).