3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H23BrN6O — CID 21066525

IUPAC3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3cccnc3)cc(C3CCCN(Cc4ccoc4)C3)nc12
InChIInChI=1S/C22H23BrN6O/c23-19-12-26-29-21(25-11-16-3-1-6-24-10-16)9-20(27-22(19)29)18-4-2-7-28(14-18)13-17-5-8-30-15-17/h1,3,5-6,8-10,12,15,18,25H,2,4,7,11,13-14H2
InChIKeyMVSFPEOZSIDKMQ-UHFFFAOYSA-N
MW467.37 g/mol
LogP4.47
Rot. Bonds6

About 3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21066525) has the molecular formula C22H23BrN6O and a molecular weight of 467.37 g/mol. Its IUPAC name is 3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21066525
Molecular FormulaC22H23BrN6O
Molecular Weight467.37 g/mol
Exact Mass466.11
IUPAC Name3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3cccnc3)cc(C3CCCN(Cc4ccoc4)C3)nc12
InChIInChI=1S/C22H23BrN6O/c23-19-12-26-29-21(25-11-16-3-1-6-24-10-16)9-20(27-22(19)29)18-4-2-7-28(14-18)13-17-5-8-30-15-17/h1,3,5-6,8-10,12,15,18,25H,2,4,7,11,13-14H2
InChIKeyMVSFPEOZSIDKMQ-UHFFFAOYSA-N
XLogP4.47
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 9976396
2-Furan-2-yl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125392
2-Furan-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10192937
6-(furan-3-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224367
6-Bromo-3-(furan-3-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224746
N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-2-methyl-3-furancarboxamide
CID 16225493
3-(Furan-3-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53319015
US8927738, 2-[2-(2-Furan-3-yl-1H-imidazol-4-yl)-ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 67259230
4-(Furan-2-yl)-10-[2-(5-pyridin-3-yl-2-pyridinyl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 44568345
8-[4-[(dimethylamino)methyl]phenyl]-N-(furan-3-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 137657139
5-(2-amino-4-pyridinyl)-N-(furan-3-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166634739
6-(3-Furyl)-3-(3-pyridyl)imidazo [1,2-b]pyridazine
CID 90480257

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 21066525) is 3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3cccnc3)cc(C3CCCN(Cc4ccoc4)C3)nc12.
What is the InChIKey of 3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MVSFPEOZSIDKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN6O/c23-19-12-26-29-21(25-11-16-3-1-6-24-10-16)9-20(27-22(19)29)18-4-2-7-28(14-18)13-17-5-8-30-15-17/h1,3,5-6,8-10,12,15,18,25H,2,4,7,11,13-14H2.
What are the key properties of 3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 467.37 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-(furan-3-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21066525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).