bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid — IUPAC name, SMILES, InChIKey & properties

Name: bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid

bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (PubChem CID 160814418) has the molecular formula C121H121Br4N27O10S2 and a molecular weight of 2497.23 g/mol. Its IUPAC name is bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name	bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
PubChem CID	160814418
Molecular Formula	C121H121Br4N27O10S2
Molecular Weight	2497.23 g/mol
Exact Mass	2491.60
IUPAC Name	bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
SMILES	CS(=O)(=O)NC(=O)CC1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CS(=O)(=O)NC(=O)CC1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.N#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn2c1N.NC(=O)CC1CCC(c2nc3c(-c4ccc5ccccc5c4)cnn3c(N)c2Br)CC1.NC(=O)CC1CCC(c2nc3c(-c4ccc5ccccc5c4)cnn3c(N)c2Br)CC1
InChI	InChI=1S/C25H23N5O2.2C24H25BrN6O3S.2C24H24BrN5O/c26-13-20-23(17-7-5-15(6-8-17)11-22(31)32)29-25-21(14-28-30(25)24(20)27)19-10-9-16-3-1-2-4-18(16)12-19;21-35(33,34)30-20(32)10-14-6-8-15(9-7-14)22-21(25)23(26)31-24(29-22)18(13-28-31)17-11-16-4-2-3-5-19(16)27-12-17;225-21-22(16-7-5-14(6-8-16)11-20(26)31)29-24-19(13-28-30(24)23(21)27)18-10-9-15-3-1-2-4-17(15)12-18/h1-4,9-10,12,14-15,17H,5-8,11,27H2,(H,31,32);22-5,11-15H,6-10,26H2,1H3,(H,30,32);21-4,9-10,12-14,16H,5-8,11,27H2,(H2,26,31)
InChIKey	SESIRBSPNSSJHE-UHFFFAOYSA-N
XLogP	22.90
TPSA	580.58 Å²
H-Bond Donors	10
H-Bond Acceptors	32
Rotatable Bonds	22
Heavy Atoms	164
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.23
LogP ≤ 5	22.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Analyze bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?

The IUPAC name of bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (CID 160814418) is bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid.

What is the SMILES notation for bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?

The canonical SMILES for bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid is CS(=O)(=O)NC(=O)CC1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CS(=O)(=O)NC(=O)CC1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.N#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn2c1N.NC(=O)CC1CCC(c2nc3c(-c4ccc5ccccc5c4)cnn3c(N)c2Br)CC1.NC(=O)CC1CCC(c2nc3c(-c4ccc5ccccc5c4)cnn3c(N)c2Br)CC1.

What is the InChIKey of bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?

The InChIKey is SESIRBSPNSSJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2.2C24H25BrN6O3S.2C24H24BrN5O/c26-13-20-23(17-7-5-15(6-8-17)11-22(31)32)29-25-21(14-28-30(25)24(20)27)19-10-9-16-3-1-2-4-18(16)12-19;2*1-35(33,34)30-20(32)10-14-6-8-15(9-7-14)22-21(25)23(26)31-24(29-22)18(13-28-31)17-11-16-4-2-3-5-19(16)27-12-17;2*25-21-22(16-7-5-14(6-8-16)11-20(26)31)29-24-19(13-28-30(24)23(21)27)18-10-9-15-3-1-2-4-17(15)12-18/h1-4,9-10,12,14-15,17H,5-8,11,27H2,(H,31,32);2*2-5,11-15H,6-10,26H2,1H3,(H,30,32);2*1-4,9-10,12-14,16H,5-8,11,27H2,(H2,26,31).

What are the key properties of bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?

Where does this data come from?

All data for bis(2-[4-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetamide);bis(2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]-N-methylsulfonylacetamide);2-[4-(7-amino-6-cyano-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 160814418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).