[4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone

C22H27N5O — CID 56995711

IUPAC[4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
SMILESCCC(C)Nc1cccnc1N1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H27N5O/c1-3-16(2)25-20-9-6-10-23-21(20)26-11-13-27(14-12-26)22(28)18-15-24-19-8-5-4-7-17(18)19/h4-10,15-16,24-25H,3,11-14H2,1-2H3
InChIKeyBLWXVOLOCXCMDH-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.74
Rot. Bonds5

About [4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone

[4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone (PubChem CID 56995711) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
PubChem CID56995711
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
SMILESCCC(C)Nc1cccnc1N1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H27N5O/c1-3-16(2)25-20-9-6-10-23-21(20)26-11-13-27(14-12-26)22(28)18-15-24-19-8-5-4-7-17(18)19/h4-10,15-16,24-25H,3,11-14H2,1-2H3
InChIKeyBLWXVOLOCXCMDH-UHFFFAOYSA-N
XLogP3.74
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 57280065
3H-benzo[e]indol-1-yl-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57258489
[6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57316548
(5-fluoro-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57147611
N-[3-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide
CID 57188923
(5-nitro-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57034003
[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
[3-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-6-yl]methyl methanesulfonate
CID 57028318
(5-fluoro-6-methoxy-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57095998
[4-[3-(tert-butylamino)-2-pyridinyl]piperazin-1-yl]-[6-(hydroxymethyl)-1H-indol-3-yl]methanone
CID 67755639
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-phenylmethoxy-1H-indol-3-yl)methanone
CID 57065668

Frequently Asked Questions

What is the IUPAC name of [4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone (CID 56995711) is [4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone is CCC(C)Nc1cccnc1N1CCN(C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone?
The InChIKey is BLWXVOLOCXCMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-16(2)25-20-9-6-10-23-21(20)26-11-13-27(14-12-26)22(28)18-15-24-19-8-5-4-7-17(18)19/h4-10,15-16,24-25H,3,11-14H2,1-2H3.
What are the key properties of [4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone?
[4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(butan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 56995711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).