[1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate

C21H26N4O3 — CID 90004822

IUPAC[1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
SMILESCCCCn1ncc2c(-c3ccc(C)cn3)cc(OC(=O)N[C@@H](C)CO)cc21
InChIInChI=1S/C21H26N4O3/c1-4-5-8-25-20-10-16(28-21(27)24-15(3)13-26)9-17(18(20)12-23-25)19-7-6-14(2)11-22-19/h6-7,9-12,15,26H,4-5,8,13H2,1-3H3,(H,24,27)/t15-/m0/s1
InChIKeyNSAJEERJAJJREZ-HNNXBMFYSA-N
MW382.46 g/mol
LogP3.68
Rot. Bonds7

About [1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate

[1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate (PubChem CID 90004822) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Name[1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
PubChem CID90004822
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
SMILESCCCCn1ncc2c(-c3ccc(C)cn3)cc(OC(=O)N[C@@H](C)CO)cc21
InChIInChI=1S/C21H26N4O3/c1-4-5-8-25-20-10-16(28-21(27)24-15(3)13-26)9-17(18(20)12-23-25)19-7-6-14(2)11-22-19/h6-7,9-12,15,26H,4-5,8,13H2,1-3H3,(H,24,27)/t15-/m0/s1
InChIKeyNSAJEERJAJJREZ-HNNXBMFYSA-N
XLogP3.68
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The IUPAC name of [1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate (CID 90004822) is [1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for [1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for [1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate is CCCCn1ncc2c(-c3ccc(C)cn3)cc(OC(=O)N[C@@H](C)CO)cc21.
What is the InChIKey of [1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is NSAJEERJAJJREZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-5-8-25-20-10-16(28-21(27)24-15(3)13-26)9-17(18(20)12-23-25)19-7-6-14(2)11-22-19/h6-7,9-12,15,26H,4-5,8,13H2,1-3H3,(H,24,27)/t15-/m0/s1.
What are the key properties of [1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate?
[1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate has a molecular weight of 382.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 90004822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).