[5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C19H27N5O — CID 23582616

IUPAC[5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CCN(c2cc3cc(C(=O)N4CCCC4)[nH]c3cn2)CC1
InChIInChI=1S/C19H27N5O/c1-14(2)22-7-9-23(10-8-22)18-12-15-11-16(21-17(15)13-20-18)19(25)24-5-3-4-6-24/h11-14,21H,3-10H2,1-2H3
InChIKeyNBOBUSSQQIVBOF-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.33
Rot. Bonds3

About [5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 23582616) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID23582616
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CCN(c2cc3cc(C(=O)N4CCCC4)[nH]c3cn2)CC1
InChIInChI=1S/C19H27N5O/c1-14(2)22-7-9-23(10-8-22)18-12-15-11-16(21-17(15)13-20-18)19(25)24-5-3-4-6-24/h11-14,21H,3-10H2,1-2H3
InChIKeyNBOBUSSQQIVBOF-UHFFFAOYSA-N
XLogP2.33
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 23582479
[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68681971
[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68680973
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
CID 166245873
piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride
CID 11568100
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69282604

Frequently Asked Questions

What is the IUPAC name of [5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 23582616) is [5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone is CC(C)N1CCN(c2cc3cc(C(=O)N4CCCC4)[nH]c3cn2)CC1.
What is the InChIKey of [5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NBOBUSSQQIVBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)22-7-9-23(10-8-22)18-12-15-11-16(21-17(15)13-20-18)19(25)24-5-3-4-6-24/h11-14,21H,3-10H2,1-2H3.
What are the key properties of [5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.46 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 23582616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).