(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone

C18H27N5O — CID 134799704

IUPAC(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C(C)(C)C)nc3c2cnn3C)CC1
InChIInChI=1S/C18H27N5O/c1-6-22-7-9-23(10-8-22)17(24)13-11-15(18(2,3)4)20-16-14(13)12-19-21(16)5/h11-12H,6-10H2,1-5H3
InChIKeyCFFJTXXCSQYPHI-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.04
Rot. Bonds2

About (6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone

(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 134799704) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID134799704
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C(C)(C)C)nc3c2cnn3C)CC1
InChIInChI=1S/C18H27N5O/c1-6-22-7-9-23(10-8-22)17(24)13-11-15(18(2,3)4)20-16-14(13)12-19-21(16)5/h11-12H,6-10H2,1-5H3
InChIKeyCFFJTXXCSQYPHI-UHFFFAOYSA-N
XLogP2.04
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone (CID 134799704) is (6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(C(C)(C)C)nc3c2cnn3C)CC1.
What is the InChIKey of (6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is CFFJTXXCSQYPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-6-22-7-9-23(10-8-22)17(24)13-11-15(18(2,3)4)20-16-14(13)12-19-21(16)5/h11-12H,6-10H2,1-5H3.
What are the key properties of (6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 329.45 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 134799704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).