2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride

C32H35ClN14O4S2 — CID 159176829

IUPAC2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride
SMILESCS(=O)(=O)Cl.CS(=O)(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C16H17N7O2S.C15H15N7.CH3ClO2S/c1-26(24,25)19-6-7-23-9-12-11-3-2-10(13-4-5-18-21-13)8-14(11)20-16(17)15(12)22-23;16-4-6-22-8-11-10-2-1-9(12-3-5-18-20-12)7-13(10)19-15(17)14(11)21-22;1-5(2,3)4/h2-5,8-9,19H,6-7H2,1H3,(H2,17,20)(H,18,21);1-3,5,7-8H,4,6,16H2,(H2,17,19)(H,18,20);1H3
InChIKeyKMJRHLFKGTUSHZ-UHFFFAOYSA-N
MW779.31 g/mol
LogP2.81
Rot. Bonds8

About 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride

2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride (PubChem CID 159176829) has the molecular formula C32H35ClN14O4S2 and a molecular weight of 779.31 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride
PubChem CID159176829
Molecular FormulaC32H35ClN14O4S2
Molecular Weight779.31 g/mol
Exact Mass778.21
IUPAC Name2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride
SMILESCS(=O)(=O)Cl.CS(=O)(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C16H17N7O2S.C15H15N7.CH3ClO2S/c1-26(24,25)19-6-7-23-9-12-11-3-2-10(13-4-5-18-21-13)8-14(11)20-16(17)15(12)22-23;16-4-6-22-8-11-10-2-1-9(12-3-5-18-20-12)7-13(10)19-15(17)14(11)21-22;1-5(2,3)4/h2-5,8-9,19H,6-7H2,1H3,(H2,17,20)(H,18,21);1-3,5,7-8H,4,6,16H2,(H2,17,19)(H,18,20);1H3
InChIKeyKMJRHLFKGTUSHZ-UHFFFAOYSA-N
XLogP2.81
TPSA277.15 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500779.31
LogP ≤ 52.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride with MolForge

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Related Compounds

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-1-methylimidazole-4-carboxamide
CID 160576900
7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
CID 155679567
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-3,3,3-trifluoropropanamide
CID 175625447
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-4-fluorobenzamide
CID 157134726
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide
CID 157058511
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
CID 159427333
7-(1H-pyrazol-5-yl)-2-(2-pyridin-2-ylethyl)pyrazolo[3,4-c]quinolin-4-amine
CID 158554210
N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide
CID 175628035
2-(3-phenoxypropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine
CID 155679561
4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one
CID 159117214
N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide
CID 170386842
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethanol
CID 155679543

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride?
The IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride (CID 159176829) is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride.
What is the SMILES notation for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride?
The canonical SMILES for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride is CS(=O)(=O)Cl.CS(=O)(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride?
The InChIKey is KMJRHLFKGTUSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2S.C15H15N7.CH3ClO2S/c1-26(24,25)19-6-7-23-9-12-11-3-2-10(13-4-5-18-21-13)8-14(11)20-16(17)15(12)22-23;16-4-6-22-8-11-10-2-1-9(12-3-5-18-20-12)7-13(10)19-15(17)14(11)21-22;1-5(2,3)4/h2-5,8-9,19H,6-7H2,1H3,(H2,17,20)(H,18,21);1-3,5,7-8H,4,6,16H2,(H2,17,19)(H,18,20);1H3.
What are the key properties of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride?
2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride has a molecular weight of 779.31 g/mol, XLogP of 2.81, 8 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]methanesulfonamide;methanesulfonyl chloride is sourced from PubChem (CID 159176829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).