(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone

C16H16BrN5O — CID 68801440

IUPAC(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone
SMILESCc1c[nH]c2c1N(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2
InChIInChI=1S/C16H16BrN5O/c1-10-8-18-13-5-6-22(20(2)15(10)13)16(23)14-7-12-4-3-11(17)9-21(12)19-14/h3-4,7-9,18H,5-6H2,1-2H3
InChIKeyURTLVLBCLXEXBS-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.78
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone (PubChem CID 68801440) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone
PubChem CID68801440
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone
SMILESCc1c[nH]c2c1N(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2
InChIInChI=1S/C16H16BrN5O/c1-10-8-18-13-5-6-22(20(2)15(10)13)16(23)14-7-12-4-3-11(17)9-21(12)19-14/h3-4,7-9,18H,5-6H2,1-2H3
InChIKeyURTLVLBCLXEXBS-UHFFFAOYSA-N
XLogP2.78
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone (CID 68801440) is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone is Cc1c[nH]c2c1N(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone?
The InChIKey is URTLVLBCLXEXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-10-8-18-13-5-6-22(20(2)15(10)13)16(23)14-7-12-4-3-11(17)9-21(12)19-14/h3-4,7-9,18H,5-6H2,1-2H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone?
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone has a molecular weight of 374.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-4,5-dihydro-3H-pyrrolo[3,2-c]pyridazin-2-yl)methanone is sourced from PubChem (CID 68801440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).