[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone

C25H24N4O2 — CID 175644974

IUPAC[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone
SMILESCn1nccc1-c1cccc2cc(C(=O)N3C[C@@H](Cc4ccncc4)[C@@H](O)C3)ccc12
InChIInChI=1S/C25H24N4O2/c1-28-23(9-12-27-28)22-4-2-3-18-14-19(5-6-21(18)22)25(31)29-15-20(24(30)16-29)13-17-7-10-26-11-8-17/h2-12,14,20,24,30H,13,15-16H2,1H3/t20-,24+/m1/s1
InChIKeyYHUPDHPJWNYQNX-YKSBVNFPSA-N
MW412.49 g/mol
LogP3.31
Rot. Bonds4

About [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone

[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone (PubChem CID 175644974) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone
PubChem CID175644974
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone
SMILESCn1nccc1-c1cccc2cc(C(=O)N3C[C@@H](Cc4ccncc4)[C@@H](O)C3)ccc12
InChIInChI=1S/C25H24N4O2/c1-28-23(9-12-27-28)22-4-2-3-18-14-19(5-6-21(18)22)25(31)29-15-20(24(30)16-29)13-17-7-10-26-11-8-17/h2-12,14,20,24,30H,13,15-16H2,1H3/t20-,24+/m1/s1
InChIKeyYHUPDHPJWNYQNX-YKSBVNFPSA-N
XLogP3.31
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-1-methylquinolin-2-one
CID 135089713
[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[5-(2-methoxyquinolin-3-yl)naphthalen-2-yl]methanone
CID 176501286
(2,6-difluoro-4-methoxyphenyl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 134707878
(1,2-dimethylpyrrol-3-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135093804
(7-fluoro-2-methylquinolin-4-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 155498674
5-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 155913982
[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 135110871
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone
CID 136587827
(3-fluoro-4-pyridinyl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 155917184
(3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135104836
1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 134698022
1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(3-methylphenoxy)propan-1-one
CID 135099359

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone (CID 175644974) is [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone is Cn1nccc1-c1cccc2cc(C(=O)N3C[C@@H](Cc4ccncc4)[C@@H](O)C3)ccc12.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone?
The InChIKey is YHUPDHPJWNYQNX-YKSBVNFPSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-28-23(9-12-27-28)22-4-2-3-18-14-19(5-6-21(18)22)25(31)29-15-20(24(30)16-29)13-17-7-10-26-11-8-17/h2-12,14,20,24,30H,13,15-16H2,1H3/t20-,24+/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone?
[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone has a molecular weight of 412.49 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone is sourced from PubChem (CID 175644974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).