N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C20H22ClN7O2 — CID 134192162

IUPACN-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OCCN2CCOCC2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H22ClN7O2/c1-27-16-12-13(23-19-18-15(24-25-19)3-2-4-22-18)11-14(21)17(16)20(26-27)30-10-7-28-5-8-29-9-6-28/h2-4,11-12H,5-10H2,1H3,(H2,23,24,25)
InChIKeyQBRISNAMTVKVEP-UHFFFAOYSA-N
MW427.90 g/mol
LogP2.95
Rot. Bonds6

About N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192162) has the molecular formula C20H22ClN7O2 and a molecular weight of 427.90 g/mol. Its IUPAC name is N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192162
Molecular FormulaC20H22ClN7O2
Molecular Weight427.90 g/mol
Exact Mass427.15
IUPAC NameN-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OCCN2CCOCC2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C20H22ClN7O2/c1-27-16-12-13(23-19-18-15(24-25-19)3-2-4-22-18)11-14(21)17(16)20(26-27)30-10-7-28-5-8-29-9-6-28/h2-4,11-12H,5-10H2,1H3,(H2,23,24,25)
InChIKeyQBRISNAMTVKVEP-UHFFFAOYSA-N
XLogP2.95
TPSA93.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192162) is N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cn1nc(OCCN2CCOCC2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is QBRISNAMTVKVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O2/c1-27-16-12-13(23-19-18-15(24-25-19)3-2-4-22-18)11-14(21)17(16)20(26-27)30-10-7-28-5-8-29-9-6-28/h2-4,11-12H,5-10H2,1H3,(H2,23,24,25).
What are the key properties of N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 427.90 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-methyl-3-(2-morpholin-4-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).