N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide

C19H23N7OS — CID 170386842

IUPACN-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide
SMILESCC(C)S(=O)NCCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C19H23N7OS/c1-12(2)28(27)22-7-3-9-26-11-15-18(25-26)14-5-4-13(16-6-8-21-24-16)10-17(14)23-19(15)20/h4-6,8,10-12,22H,3,7,9H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyNDXKWOZRIYXNPT-UHFFFAOYSA-N
MW397.51 g/mol
LogP2.61
Rot. Bonds7

About N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide

N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide (PubChem CID 170386842) has the molecular formula C19H23N7OS and a molecular weight of 397.51 g/mol. Its IUPAC name is N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide.

Molecular Properties

Compound NameN-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide
PubChem CID170386842
Molecular FormulaC19H23N7OS
Molecular Weight397.51 g/mol
Exact Mass397.17
IUPAC NameN-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide
SMILESCC(C)S(=O)NCCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1
InChIInChI=1S/C19H23N7OS/c1-12(2)28(27)22-7-3-9-26-11-15-18(25-26)14-5-4-13(16-6-8-21-24-16)10-17(14)23-19(15)20/h4-6,8,10-12,22H,3,7,9H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyNDXKWOZRIYXNPT-UHFFFAOYSA-N
XLogP2.61
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
CID 159427333
2-(3-methylsulfanylpropyl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 170384732
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethanol
CID 155679543
N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]benzenesulfonamide
CID 175628035
2-[2-(dimethylamino)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 159577972
N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-ethoxyacetamide
CID 148927769
1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol
CID 175628234
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide
CID 161195693
N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-4-fluoropyridine-2-carboxamide
CID 147457510
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
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-N,N-dimethylpropanamide
CID 170386660
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-N-propan-2-ylacetamide
CID 157058511

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide?
The IUPAC name of N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide (CID 170386842) is N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide.
What is the SMILES notation for N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide?
The canonical SMILES for N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide is CC(C)S(=O)NCCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.
What is the InChIKey of N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide?
The InChIKey is NDXKWOZRIYXNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS/c1-12(2)28(27)22-7-3-9-26-11-15-18(25-26)14-5-4-13(16-6-8-21-24-16)10-17(14)23-19(15)20/h4-6,8,10-12,22H,3,7,9H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide?
N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide has a molecular weight of 397.51 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propyl]propane-2-sulfinamide is sourced from PubChem (CID 170386842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).