2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone

C23H23N7O2 — CID 90095818

IUPAC2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone
SMILESO=C(COc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1)N1CCNCC1
InChIInChI=1S/C23H23N7O2/c31-22(30-10-8-24-9-11-30)15-32-19-3-1-2-16(13-19)23-25-7-6-21(28-23)27-18-4-5-20-17(12-18)14-26-29-20/h1-7,12-14,24H,8-11,15H2,(H,26,29)(H,25,27,28)
InChIKeyICNAMXAAHUNRRP-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.57
Rot. Bonds6

About 2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone

2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone (PubChem CID 90095818) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone
PubChem CID90095818
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone
SMILESO=C(COc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1)N1CCNCC1
InChIInChI=1S/C23H23N7O2/c31-22(30-10-8-24-9-11-30)15-32-19-3-1-2-16(13-19)23-25-7-6-21(28-23)27-18-4-5-20-17(12-18)14-26-29-20/h1-7,12-14,24H,8-11,15H2,(H,26,29)(H,25,27,28)
InChIKeyICNAMXAAHUNRRP-UHFFFAOYSA-N
XLogP2.57
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[4-(1H-indazol-5-ylamino)-6-methylpyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 118334773
(E)-N-(2,2-difluorocyclopropyl)-3-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenyl]prop-2-enamide
CID 166983884
2-[3-[4-(diethylamino)-6-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 167297965
2-[3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 90095162
N-tert-butyl-2-[3-[4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]phenoxy]acetamide
CID 166026366
2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227874
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
8-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-(3-methylbutanoyl)-3,5-dihydro-2H-1-benzazepin-4-one
CID 153100551
2-[3-[7-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227876
N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 137387403
5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-yl-1H-indole-2-carboxamide
CID 137369561
2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone
CID 147495090

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone (CID 90095818) is 2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone is O=C(COc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1)N1CCNCC1.
What is the InChIKey of 2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone?
The InChIKey is ICNAMXAAHUNRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c31-22(30-10-8-24-9-11-30)15-32-19-3-1-2-16(13-19)23-25-7-6-21(28-23)27-18-4-5-20-17(12-18)14-26-29-20/h1-7,12-14,24H,8-11,15H2,(H,26,29)(H,25,27,28).
What are the key properties of 2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone?
2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone has a molecular weight of 429.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-1-piperazin-1-ylethanone is sourced from PubChem (CID 90095818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).