N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide

C20H22FN7O — CID 158854488

IUPACN-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide
SMILESCC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)NC(=O)C(C)(C)F
InChIInChI=1S/C20H22FN7O/c1-11(24-19(29)20(2,3)21)9-28-10-14-17(27-28)13-5-4-12(15-6-7-23-26-15)8-16(13)25-18(14)22/h4-8,10-11H,9H2,1-3H3,(H2,22,25)(H,23,26)(H,24,29)
InChIKeyIZWGVRGDNSOFCO-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.81
Rot. Bonds5

About N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide

N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide (PubChem CID 158854488) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide
PubChem CID158854488
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC NameN-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide
SMILESCC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)NC(=O)C(C)(C)F
InChIInChI=1S/C20H22FN7O/c1-11(24-19(29)20(2,3)21)9-28-10-14-17(27-28)13-5-4-12(15-6-7-23-26-15)8-16(13)25-18(14)22/h4-8,10-11H,9H2,1-3H3,(H2,22,25)(H,23,26)(H,24,29)
InChIKeyIZWGVRGDNSOFCO-UHFFFAOYSA-N
XLogP2.81
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide (CID 158854488) is N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide is CC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)NC(=O)C(C)(C)F.
What is the InChIKey of N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide?
The InChIKey is IZWGVRGDNSOFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-11(24-19(29)20(2,3)21)9-28-10-14-17(27-28)13-5-4-12(15-6-7-23-26-15)8-16(13)25-18(14)22/h4-8,10-11H,9H2,1-3H3,(H2,22,25)(H,23,26)(H,24,29).
What are the key properties of N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide?
N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide has a molecular weight of 395.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]propan-2-yl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 158854488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).