(3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane

C23H23N5O2 — CID 142527606

IUPAC(3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane
SMILESC.O=C(c1cnc2cncc(-c3ccc(-c4cn[nH]c4)cc3)c2c1)N1CCC(O)C1
InChIInChI=1S/C22H19N5O2.CH4/c28-18-5-6-27(13-18)22(29)16-7-19-20(11-23-12-21(19)24-8-16)15-3-1-14(2-4-15)17-9-25-26-10-17;/h1-4,7-12,18,28H,5-6,13H2,(H,25,26);1H4
InChIKeyMYHPWKDUTVAZEL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.53
Rot. Bonds3

About (3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane

(3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane (PubChem CID 142527606) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane
PubChem CID142527606
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane
SMILESC.O=C(c1cnc2cncc(-c3ccc(-c4cn[nH]c4)cc3)c2c1)N1CCC(O)C1
InChIInChI=1S/C22H19N5O2.CH4/c28-18-5-6-27(13-18)22(29)16-7-19-20(11-23-12-21(19)24-8-16)15-3-1-14(2-4-15)17-9-25-26-10-17;/h1-4,7-12,18,28H,5-6,13H2,(H,25,26);1H4
InChIKeyMYHPWKDUTVAZEL-UHFFFAOYSA-N
XLogP3.53
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,7-naphthyridin-5-yl]-N-methylsulfonylbenzamide
CID 137490383
[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
CID 166278548
[1-amino-4-[4-(1H-pyrazol-4-yl)phenyl]isoquinolin-6-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 118669712
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
[8-[3-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 118077769
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
[8-(2,4-dichlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 118077758

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane (CID 142527606) is (3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane is C.O=C(c1cnc2cncc(-c3ccc(-c4cn[nH]c4)cc3)c2c1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane?
The InChIKey is MYHPWKDUTVAZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2.CH4/c28-18-5-6-27(13-18)22(29)16-7-19-20(11-23-12-21(19)24-8-16)15-3-1-14(2-4-15)17-9-25-26-10-17;/h1-4,7-12,18,28H,5-6,13H2,(H,25,26);1H4.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane?
(3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane has a molecular weight of 401.47 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane is sourced from PubChem (CID 142527606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).