[3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone

C23H29N5O2 — CID 154822032

IUPAC[3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCN(CCc1ccccn1)CC1(O)CCCN(C(=O)c2nn(C)c3ccccc23)C1
InChIInChI=1S/C23H29N5O2/c1-26(15-11-18-8-5-6-13-24-18)16-23(30)12-7-14-28(17-23)22(29)21-19-9-3-4-10-20(19)27(2)25-21/h3-6,8-10,13,30H,7,11-12,14-17H2,1-2H3
InChIKeyPWHDBBVSGJKULD-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.11
Rot. Bonds6

About [3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone

[3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 154822032) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID154822032
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name[3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCN(CCc1ccccn1)CC1(O)CCCN(C(=O)c2nn(C)c3ccccc23)C1
InChIInChI=1S/C23H29N5O2/c1-26(15-11-18-8-5-6-13-24-18)16-23(30)12-7-14-28(17-23)22(29)21-19-9-3-4-10-20(19)27(2)25-21/h3-6,8-10,13,30H,7,11-12,14-17H2,1-2H3
InChIKeyPWHDBBVSGJKULD-UHFFFAOYSA-N
XLogP2.11
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 154822032) is [3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone is CN(CCc1ccccn1)CC1(O)CCCN(C(=O)c2nn(C)c3ccccc23)C1.
What is the InChIKey of [3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is PWHDBBVSGJKULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-26(15-11-18-8-5-6-13-24-18)16-23(30)12-7-14-28(17-23)22(29)21-19-9-3-4-10-20(19)27(2)25-21/h3-6,8-10,13,30H,7,11-12,14-17H2,1-2H3.
What are the key properties of [3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
[3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 407.52 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 154822032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).