4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide

C21H26ClN5O2 — CID 134374103

IUPAC4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NC2(C#N)CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C21H26ClN5O2/c1-20(2,18(28)16-10-15(22)9-13-11-24-26-17(13)16)14-3-7-27(8-4-14)19(29)25-21(12-23)5-6-21/h9-11,14,18,28H,3-8H2,1-2H3,(H,24,26)(H,25,29)/t18-/m1/s1
InChIKeyYDPIXPVVCZJRRK-GOSISDBHSA-N
MW415.93 g/mol
LogP3.75
Rot. Bonds4

About 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide (PubChem CID 134374103) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide
PubChem CID134374103
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NC2(C#N)CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C21H26ClN5O2/c1-20(2,18(28)16-10-15(22)9-13-11-24-26-17(13)16)14-3-7-27(8-4-14)19(29)25-21(12-23)5-6-21/h9-11,14,18,28H,3-8H2,1-2H3,(H,24,26)(H,25,29)/t18-/m1/s1
InChIKeyYDPIXPVVCZJRRK-GOSISDBHSA-N
XLogP3.75
TPSA105.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide (CID 134374103) is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)NC2(C#N)CC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide?
The InChIKey is YDPIXPVVCZJRRK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-20(2,18(28)16-10-15(22)9-13-11-24-26-17(13)16)14-3-7-27(8-4-14)19(29)25-21(12-23)5-6-21/h9-11,14,18,28H,3-8H2,1-2H3,(H,24,26)(H,25,29)/t18-/m1/s1.
What are the key properties of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide?
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide has a molecular weight of 415.93 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 134374103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).