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

C20H24N4O3 — CID 90004489

IUPAC[4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
SMILESCc1ccc(-c2cc(OC(=O)N[C@@H](C)CO)cc3c2cnn3C(C)C)nc1
InChIInChI=1S/C20H24N4O3/c1-12(2)24-19-8-15(27-20(26)23-14(4)11-25)7-16(17(19)10-22-24)18-6-5-13(3)9-21-18/h5-10,12,14,25H,11H2,1-4H3,(H,23,26)/t14-/m0/s1
InChIKeyDATILFZWYDQYQR-AWEZNQCLSA-N
MW368.44 g/mol
LogP3.46
Rot. Bonds5

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

[4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate (PubChem CID 90004489) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Name[4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
PubChem CID90004489
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
SMILESCc1ccc(-c2cc(OC(=O)N[C@@H](C)CO)cc3c2cnn3C(C)C)nc1
InChIInChI=1S/C20H24N4O3/c1-12(2)24-19-8-15(27-20(26)23-14(4)11-25)7-16(17(19)10-22-24)18-6-5-13(3)9-21-18/h5-10,12,14,25H,11H2,1-4H3,(H,23,26)/t14-/m0/s1
InChIKeyDATILFZWYDQYQR-AWEZNQCLSA-N
XLogP3.46
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The IUPAC name of [4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate (CID 90004489) is [4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for [4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for [4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate is Cc1ccc(-c2cc(OC(=O)N[C@@H](C)CO)cc3c2cnn3C(C)C)nc1.
What is the InChIKey of [4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is DATILFZWYDQYQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12(2)24-19-8-15(27-20(26)23-14(4)11-25)7-16(17(19)10-22-24)18-6-5-13(3)9-21-18/h5-10,12,14,25H,11H2,1-4H3,(H,23,26)/t14-/m0/s1.
What are the key properties of [4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate?
[4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate has a molecular weight of 368.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 90004489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).