(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone

C16H15BrN4O — CID 68801801

IUPAC(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
SMILESCC1c2cc[nH]c2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C16H15BrN4O/c1-10-13-4-6-18-14(13)5-7-20(10)16(22)15-8-12-3-2-11(17)9-21(12)19-15/h2-4,6,8-10,18H,5,7H2,1H3
InChIKeyREAUTZYVYRXMFR-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.18
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone (PubChem CID 68801801) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
PubChem CID68801801
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
SMILESCC1c2cc[nH]c2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C16H15BrN4O/c1-10-13-4-6-18-14(13)5-7-20(10)16(22)15-8-12-3-2-11(17)9-21(12)19-15/h2-4,6,8-10,18H,5,7H2,1H3
InChIKeyREAUTZYVYRXMFR-UHFFFAOYSA-N
XLogP3.18
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone (CID 68801801) is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone is CC1c2cc[nH]c2CCN1C(=O)c1cc2ccc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
The InChIKey is REAUTZYVYRXMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-10-13-4-6-18-14(13)5-7-20(10)16(22)15-8-12-3-2-11(17)9-21(12)19-15/h2-4,6,8-10,18H,5,7H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone has a molecular weight of 359.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 68801801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).