N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide

C20H18N8O — CID 161195693

IUPACN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCCn2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3n2)CC1
InChIInChI=1S/C20H18N8O/c21-11-20(4-5-20)19(29)23-7-8-28-10-14-17(27-28)13-2-1-12(15-3-6-24-26-15)9-16(13)25-18(14)22/h1-3,6,9-10H,4-5,7-8H2,(H2,22,25)(H,23,29)(H,24,26)
InChIKeyUUHQMJXYZYJGJV-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.98
Rot. Bonds5

About N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide

N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide (PubChem CID 161195693) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide
PubChem CID161195693
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCCn2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3n2)CC1
InChIInChI=1S/C20H18N8O/c21-11-20(4-5-20)19(29)23-7-8-28-10-14-17(27-28)13-2-1-12(15-3-6-24-26-15)9-16(13)25-18(14)22/h1-3,6,9-10H,4-5,7-8H2,(H2,22,25)(H,23,29)(H,24,26)
InChIKeyUUHQMJXYZYJGJV-UHFFFAOYSA-N
XLogP1.98
TPSA138.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide (CID 161195693) is N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide is N#CC1(C(=O)NCCn2cc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3n2)CC1.
What is the InChIKey of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide?
The InChIKey is UUHQMJXYZYJGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c21-11-20(4-5-20)19(29)23-7-8-28-10-14-17(27-28)13-2-1-12(15-3-6-24-26-15)9-16(13)25-18(14)22/h1-3,6,9-10H,4-5,7-8H2,(H2,22,25)(H,23,29)(H,24,26).
What are the key properties of N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide?
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]-1-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 161195693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).