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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Related Compounds

3-methyl-7-oxo-5-(3-pyrazol-1-ylpyrrolidin-1-yl)-8H-isoquinoline-6-carbonitrile
CID 157361689
3-(1,2-dihydroxyethyl)-7-oxo-5-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-8H-isoquinoline-6-carbonitrile
CID 158189136
7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile
CID 163446076
7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one
CID 164956910
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946437
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 63511845
6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 126946418
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
CID 126946440
2-[2-amino-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]acetonitrile
CID 102624315
3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
CID 126946488
4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole
CID 126946675
3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946420

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).