N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine

C20H15ClN6O — CID 53317986

IUPACN-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
SMILESCCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12
InChIInChI=1S/C20H15ClN6O/c1-2-13-16-14(5-4-12(21)18(16)27-26-13)25-17-11-6-9-22-10-15(11)28-19(17)20-23-7-3-8-24-20/h3-10,25H,2H2,1H3,(H,26,27)
InChIKeyJOIYVAOMEJSCBK-UHFFFAOYSA-N
MW390.83 g/mol
LogP5.12
Rot. Bonds4

About N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine

N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine (PubChem CID 53317986) has the molecular formula C20H15ClN6O and a molecular weight of 390.83 g/mol. Its IUPAC name is N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
PubChem CID53317986
Molecular FormulaC20H15ClN6O
Molecular Weight390.83 g/mol
Exact Mass390.10
IUPAC NameN-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
SMILESCCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12
InChIInChI=1S/C20H15ClN6O/c1-2-13-16-14(5-4-12(21)18(16)27-26-13)25-17-11-6-9-22-10-15(11)28-19(17)20-23-7-3-8-24-20/h3-10,25H,2H2,1H3,(H,26,27)
InChIKeyJOIYVAOMEJSCBK-UHFFFAOYSA-N
XLogP5.12
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.83
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The IUPAC name of N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine (CID 53317986) is N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine is CCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12.
What is the InChIKey of N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The InChIKey is JOIYVAOMEJSCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6O/c1-2-13-16-14(5-4-12(21)18(16)27-26-13)25-17-11-6-9-22-10-15(11)28-19(17)20-23-7-3-8-24-20/h3-10,25H,2H2,1H3,(H,26,27).
What are the key properties of N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine has a molecular weight of 390.83 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3-ethyl-2H-indazol-4-yl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine is sourced from PubChem (CID 53317986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).