molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide

C26H27N5O — CID 155744250

IUPACmolecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCN(c2ccc3c(cnn3-c3ccncc3)c2)[C@@H]1c1ccccc1)C1CC1.[H][H]
InChIInChI=1S/C26H25N5O.H2/c32-26(19-6-7-19)29-23-12-15-30(25(23)18-4-2-1-3-5-18)22-8-9-24-20(16-22)17-28-31(24)21-10-13-27-14-11-21;/h1-5,8-11,13-14,16-17,19,23,25H,6-7,12,15H2,(H,29,32);1H/t23-,25+;/m0./s1
InChIKeyDXWMQERQTLQZQG-LMIIKYDLSA-N
MW425.54 g/mol
LogP4.51
Rot. Bonds5

About molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide

molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 155744250) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID155744250
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Namemolecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCN(c2ccc3c(cnn3-c3ccncc3)c2)[C@@H]1c1ccccc1)C1CC1.[H][H]
InChIInChI=1S/C26H25N5O.H2/c32-26(19-6-7-19)29-23-12-15-30(25(23)18-4-2-1-3-5-18)22-8-9-24-20(16-22)17-28-31(24)21-10-13-27-14-11-21;/h1-5,8-11,13-14,16-17,19,23,25H,6-7,12,15H2,(H,29,32);1H/t23-,25+;/m0./s1
InChIKeyDXWMQERQTLQZQG-LMIIKYDLSA-N
XLogP4.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 156742102
ethane;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 154641896
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160
N-[(4S)-4-(2,2-difluoroethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 167017749
N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 138684899
N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 138684599
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 138684895
(4S,5R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-(methylamino)-5-phenylpyrrolidin-2-one
CID 170105272
2,2-difluoro-N-[(3S,5S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-methyl-2-phenylpyrrolidin-3-yl]propanamide
CID 155433265
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 154598155
(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 170105316
1-methyl-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 138687282

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 155744250) is molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(N[C@H]1CCN(c2ccc3c(cnn3-c3ccncc3)c2)[C@@H]1c1ccccc1)C1CC1.[H][H].
What is the InChIKey of molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is DXWMQERQTLQZQG-LMIIKYDLSA-N. The full InChI is InChI=1S/C26H25N5O.H2/c32-26(19-6-7-19)29-23-12-15-30(25(23)18-4-2-1-3-5-18)22-8-9-24-20(16-22)17-28-31(24)21-10-13-27-14-11-21;/h1-5,8-11,13-14,16-17,19,23,25H,6-7,12,15H2,(H,29,32);1H/t23-,25+;/m0./s1.
What are the key properties of molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155744250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).