4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile

C32H31BrN12O2 — CID 158584151

IUPAC4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile
SMILESN#Cc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)co1
InChIInChI=1S/C16H15BrN6O.C16H16N6O/c17-13-14(9-2-1-3-20-6-9)22-16-12(7-21-23(16)15(13)19)10-4-11(5-18)24-8-10;17-6-12-4-11(9-23-12)13-8-20-22-15(18)5-14(21-16(13)22)10-2-1-3-19-7-10/h4,7-9,20H,1-3,6,19H2;4-5,8-10,19H,1-3,7,18H2
InChIKeyHTPPXFWBIXZJRH-UHFFFAOYSA-N
MW695.59 g/mol
LogP4.58
Rot. Bonds4

About 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile

4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile (PubChem CID 158584151) has the molecular formula C32H31BrN12O2 and a molecular weight of 695.59 g/mol. Its IUPAC name is 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile.

Molecular Properties

Compound Name4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile
PubChem CID158584151
Molecular FormulaC32H31BrN12O2
Molecular Weight695.59 g/mol
Exact Mass694.19
IUPAC Name4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile
SMILESN#Cc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)co1
InChIInChI=1S/C16H15BrN6O.C16H16N6O/c17-13-14(9-2-1-3-20-6-9)22-16-12(7-21-23(16)15(13)19)10-4-11(5-18)24-8-10;17-6-12-4-11(9-23-12)13-8-20-22-15(18)5-14(21-16(13)22)10-2-1-3-19-7-10/h4,7-9,20H,1-3,6,19H2;4-5,8-10,19H,1-3,7,18H2
InChIKeyHTPPXFWBIXZJRH-UHFFFAOYSA-N
XLogP4.58
TPSA210.34 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.59
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile with MolForge

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Related Compounds

6-Bromo-3-(furan-3-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224746
3-(Furan-3-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53319015
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
3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475413
10-[3-(3-bromo-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 10217705
3-bromo-5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10384499
3-bromo-5-(furan-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 10450885
(E)-1-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 21065358
(E)-1-[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 21065436
[3-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 21065886
[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 21066137
3-bromo-5-[1-(furan-2-ylmethyl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066484

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile?
The IUPAC name of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile (CID 158584151) is 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile.
What is the SMILES notation for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile?
The canonical SMILES for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile is N#Cc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1.N#Cc1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)co1.
What is the InChIKey of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile?
The InChIKey is HTPPXFWBIXZJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6O.C16H16N6O/c17-13-14(9-2-1-3-20-6-9)22-16-12(7-21-23(16)15(13)19)10-4-11(5-18)24-8-10;17-6-12-4-11(9-23-12)13-8-20-22-15(18)5-14(21-16(13)22)10-2-1-3-19-7-10/h4,7-9,20H,1-3,6,19H2;4-5,8-10,19H,1-3,7,18H2.
What are the key properties of 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile?
4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile has a molecular weight of 695.59 g/mol, XLogP of 4.58, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile;4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)furan-2-carbonitrile is sourced from PubChem (CID 158584151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).