[4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone

C23H29N5O2 — CID 67755639

IUPAC[4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone
SMILESCC(C)(C)Nc1cccnc1N1CCN(C(=O)c2c[nH]c3cc(CO)ccc23)CC1
InChIInChI=1S/C23H29N5O2/c1-23(2,3)26-19-5-4-8-24-21(19)27-9-11-28(12-10-27)22(30)18-14-25-20-13-16(15-29)6-7-17(18)20/h4-8,13-14,25-26,29H,9-12,15H2,1-3H3
InChIKeyBHYCHZANZGPIAZ-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.23
Rot. Bonds4

About [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone

[4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone (PubChem CID 67755639) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone.

Molecular Properties

Compound Name[4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone
PubChem CID67755639
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name[4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone
SMILESCC(C)(C)Nc1cccnc1N1CCN(C(=O)c2c[nH]c3cc(CO)ccc23)CC1
InChIInChI=1S/C23H29N5O2/c1-23(2,3)26-19-5-4-8-24-21(19)27-9-11-28(12-10-27)22(30)18-14-25-20-13-16(15-29)6-7-17(18)20/h4-8,13-14,25-26,29H,9-12,15H2,1-3H3
InChIKeyBHYCHZANZGPIAZ-UHFFFAOYSA-N
XLogP3.23
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone with MolForge

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Related Compounds

[6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57316548
[3-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-6-yl]methyl methanesulfonate
CID 57028318
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-fluoro-1H-indol-3-yl)methanone
CID 57234124
[6-[2-(2-hydroxyethoxy)ethoxy]-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57207754
[4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 56995711
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone
CID 57065668
(5-fluoro-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57147611
[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 57280065
N-[3-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide
CID 57188923
(5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57095998
3H-benzo[e]indol-1-yl-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57258489
(5-nitro-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57034003

Frequently Asked Questions

What is the IUPAC name of [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone?
The IUPAC name of [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone (CID 67755639) is [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone.
What is the SMILES notation for [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone?
The canonical SMILES for [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone is CC(C)(C)Nc1cccnc1N1CCN(C(=O)c2c[nH]c3cc(CO)ccc23)CC1.
What is the InChIKey of [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone?
The InChIKey is BHYCHZANZGPIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-23(2,3)26-19-5-4-8-24-21(19)27-9-11-28(12-10-27)22(30)18-14-25-20-13-16(15-29)6-7-17(18)20/h4-8,13-14,25-26,29H,9-12,15H2,1-3H3.
What are the key properties of [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone?
[4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone has a molecular weight of 407.52 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone is sourced from PubChem (CID 67755639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).