[(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone

C22H21N5O3 — CID 118878876

IUPAC[(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
SMILESCOc1cc(C(=O)N2CC(O)C[C@@H]2c2ccc3cn[nH]c3c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H21N5O3/c1-30-21-7-14(4-5-18(21)16-10-23-24-11-16)22(29)27-12-17(28)8-20(27)13-2-3-15-9-25-26-19(15)6-13/h2-7,9-11,17,20,28H,8,12H2,1H3,(H,23,24)(H,25,26)/t17?,20-/m1/s1
InChIKeyQCQUZYVLPSPASD-UUSAFJCLSA-N
MW403.44 g/mol
LogP2.91
Rot. Bonds4

About [(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone

[(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone (PubChem CID 118878876) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is [(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
PubChem CID118878876
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name[(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
SMILESCOc1cc(C(=O)N2CC(O)C[C@@H]2c2ccc3cn[nH]c3c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H21N5O3/c1-30-21-7-14(4-5-18(21)16-10-23-24-11-16)22(29)27-12-17(28)8-20(27)13-2-3-15-9-25-26-19(15)6-13/h2-7,9-11,17,20,28H,8,12H2,1H3,(H,23,24)(H,25,26)/t17?,20-/m1/s1
InChIKeyQCQUZYVLPSPASD-UUSAFJCLSA-N
XLogP2.91
TPSA107.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone?
The IUPAC name of [(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone (CID 118878876) is [(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone?
The canonical SMILES for [(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone is COc1cc(C(=O)N2CC(O)C[C@@H]2c2ccc3cn[nH]c3c2)ccc1-c1cn[nH]c1.
What is the InChIKey of [(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone?
The InChIKey is QCQUZYVLPSPASD-UUSAFJCLSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-30-21-7-14(4-5-18(21)16-10-23-24-11-16)22(29)27-12-17(28)8-20(27)13-2-3-15-9-25-26-19(15)6-13/h2-7,9-11,17,20,28H,8,12H2,1H3,(H,23,24)(H,25,26)/t17?,20-/m1/s1.
What are the key properties of [(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone?
[(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone has a molecular weight of 403.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-hydroxy-2-(1H-indazol-6-yl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 118878876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).