N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine

C22H24N6O — CID 90096055

IUPACN-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCC(C)NCCOc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1
InChIInChI=1S/C22H24N6O/c1-15(2)23-10-11-29-19-5-3-4-16(13-19)22-24-9-8-21(27-22)26-18-6-7-20-17(12-18)14-25-28-20/h3-9,12-15,23H,10-11H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyCBUNAFRZRCOJEX-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.14
Rot. Bonds8

About N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine

N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 90096055) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID90096055
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCC(C)NCCOc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1
InChIInChI=1S/C22H24N6O/c1-15(2)23-10-11-29-19-5-3-4-16(13-19)22-24-9-8-21(27-22)26-18-6-7-20-17(12-18)14-25-28-20/h3-9,12-15,23H,10-11H2,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyCBUNAFRZRCOJEX-UHFFFAOYSA-N
XLogP4.14
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.14
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

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MLi-2
CID 78319901
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
Belumosudil Mesylate
CID 146025939
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-amine
CID 5329493
Pyrazole, 16
CID 11567059
1-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea
CID 44587530
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
Pdgfr-IN-1
CID 156704693

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine (CID 90096055) is N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine is CC(C)NCCOc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1.
What is the InChIKey of N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is CBUNAFRZRCOJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15(2)23-10-11-29-19-5-3-4-16(13-19)22-24-9-8-21(27-22)26-18-6-7-20-17(12-18)14-25-28-20/h3-9,12-15,23H,10-11H2,1-2H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 388.48 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 90096055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).