6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine

C19H25BrN6 — CID 155640290

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine
SMILESCC(C)N1CCC[C@@H](c2cc3c(-c4cnn(C)c4)cnn3c(N)c2Br)C1
InChIInChI=1S/C19H25BrN6/c1-12(2)25-6-4-5-13(11-25)15-7-17-16(14-8-22-24(3)10-14)9-23-26(17)19(21)18(15)20/h7-10,12-13H,4-6,11,21H2,1-3H3/t13-/m1/s1
InChIKeyBOHOJUQAXUKWEF-CYBMUJFWSA-N
MW417.36 g/mol
LogP3.67
Rot. Bonds3

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine

6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 155640290) has the molecular formula C19H25BrN6 and a molecular weight of 417.36 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine
PubChem CID155640290
Molecular FormulaC19H25BrN6
Molecular Weight417.36 g/mol
Exact Mass416.13
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine
SMILESCC(C)N1CCC[C@@H](c2cc3c(-c4cnn(C)c4)cnn3c(N)c2Br)C1
InChIInChI=1S/C19H25BrN6/c1-12(2)25-6-4-5-13(11-25)15-7-17-16(14-8-22-24(3)10-14)9-23-26(17)19(21)18(15)20/h7-10,12-13H,4-6,11,21H2,1-3H3/t13-/m1/s1
InChIKeyBOHOJUQAXUKWEF-CYBMUJFWSA-N
XLogP3.67
TPSA64.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine (CID 155640290) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine is CC(C)N1CCC[C@@H](c2cc3c(-c4cnn(C)c4)cnn3c(N)c2Br)C1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is BOHOJUQAXUKWEF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25BrN6/c1-12(2)25-6-4-5-13(11-25)15-7-17-16(14-8-22-24(3)10-14)9-23-26(17)19(21)18(15)20/h7-10,12-13H,4-6,11,21H2,1-3H3/t13-/m1/s1.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 417.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 155640290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).