3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen

C52H50N10O2 — CID 164587215

IUPAC3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen
SMILESCC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn([C@@H]3C[C@H]3c3ccncc3)c2c1.CC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn([C@H]3C[C@@H]3c3ccncc3)c2c1.[H][H].[H][H]
InChIInChI=1S/2C26H23N5O.2H2/c2*1-16(2)25-18(14-27)4-3-5-21(25)26(32)30-20-7-6-19-15-29-31(23(19)12-20)24-13-22(24)17-8-10-28-11-9-17;;/h2*3-12,15-16,22,24H,13H2,1-2H3,(H,30,32);2*1H/t2*22-,24+;;/m10../s1
InChIKeyDCSQWMWGSONEGB-KKQKWCGDSA-N
MW847.04 g/mol
LogP11.31
Rot. Bonds10

About 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen

3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen (PubChem CID 164587215) has the molecular formula C52H50N10O2 and a molecular weight of 847.04 g/mol. Its IUPAC name is 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen.

Molecular Properties

Compound Name3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen
PubChem CID164587215
Molecular FormulaC52H50N10O2
Molecular Weight847.04 g/mol
Exact Mass846.41
IUPAC Name3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen
SMILESCC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn([C@@H]3C[C@H]3c3ccncc3)c2c1.CC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn([C@H]3C[C@@H]3c3ccncc3)c2c1.[H][H].[H][H]
InChIInChI=1S/2C26H23N5O.2H2/c2*1-16(2)25-18(14-27)4-3-5-21(25)26(32)30-20-7-6-19-15-29-31(23(19)12-20)24-13-22(24)17-8-10-28-11-9-17;;/h2*3-12,15-16,22,24H,13H2,1-2H3,(H,30,32);2*1H/t2*22-,24+;;/m10../s1
InChIKeyDCSQWMWGSONEGB-KKQKWCGDSA-N
XLogP11.31
TPSA167.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.04
LogP ≤ 511.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen with MolForge

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Related Compounds

3-cyano-2-propan-2-yl-N-(1-pyridazin-4-ylindazol-6-yl)benzamide
CID 164587334
3-cyano-N-[1-(2-morpholin-4-yl-4-pyridinyl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 164586856
3-cyano-N-[4-methanimidoyl-3-[(2-methylpyrimidin-5-yl)amino]phenyl]-2-propan-2-ylbenzamide
CID 164586810
3-cyano-N-[4-methanimidoyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenyl]-2-propan-2-ylbenzamide
CID 164586786
3-cyano-N-[3-[[(Z)-2-(2,6-dimethyl-4-pyridinyl)ethenyl]amino]-4-methanimidoylphenyl]-2-propan-2-ylbenzamide
CID 164586792
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 175755919
3-cyano-N-[4-methanimidoyl-3-[[2-(4-methylmorpholin-3-yl)-4-pyridinyl]amino]phenyl]-2-propan-2-ylbenzamide
CID 164587401
3-cyano-N-(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-propan-2-ylbenzamide
CID 165436971
1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide
CID 70644372
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide
CID 164587242
6-cyano-2-methyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587354

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen?
The IUPAC name of 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen (CID 164587215) is 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen.
What is the SMILES notation for 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen?
The canonical SMILES for 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen is CC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn([C@@H]3C[C@H]3c3ccncc3)c2c1.CC(C)c1c(C#N)cccc1C(=O)Nc1ccc2cnn([C@H]3C[C@@H]3c3ccncc3)c2c1.[H][H].[H][H].
What is the InChIKey of 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen?
The InChIKey is DCSQWMWGSONEGB-KKQKWCGDSA-N. The full InChI is InChI=1S/2C26H23N5O.2H2/c2*1-16(2)25-18(14-27)4-3-5-21(25)26(32)30-20-7-6-19-15-29-31(23(19)12-20)24-13-22(24)17-8-10-28-11-9-17;;/h2*3-12,15-16,22,24H,13H2,1-2H3,(H,30,32);2*1H/t2*22-,24+;;/m10../s1.
What are the key properties of 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen?
3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen has a molecular weight of 847.04 g/mol, XLogP of 11.31, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-propan-2-yl-N-[1-[(1R,2S)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;3-cyano-2-propan-2-yl-N-[1-[(1S,2R)-2-pyridin-4-ylcyclopropyl]indazol-6-yl]benzamide;molecular hydrogen is sourced from PubChem (CID 164587215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).