6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one

C22H22N6O2 — CID 53390639

IUPAC6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one
SMILESCn1nc(Nc2cc(-c3ccc4c(c3)NC(=O)C4)cn3ccnc23)cc1C(C)(C)O
InChIInChI=1S/C22H22N6O2/c1-22(2,30)18-11-19(26-27(18)3)24-17-9-15(12-28-7-6-23-21(17)28)13-4-5-14-10-20(29)25-16(14)8-13/h4-9,11-12,30H,10H2,1-3H3,(H,24,26)(H,25,29)
InChIKeyIDHJCPFMQJVVJT-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.20
Rot. Bonds4

About 6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one

6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one (PubChem CID 53390639) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one
PubChem CID53390639
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one
SMILESCn1nc(Nc2cc(-c3ccc4c(c3)NC(=O)C4)cn3ccnc23)cc1C(C)(C)O
InChIInChI=1S/C22H22N6O2/c1-22(2,30)18-11-19(26-27(18)3)24-17-9-15(12-28-7-6-23-21(17)28)13-4-5-14-10-20(29)25-16(14)8-13/h4-9,11-12,30H,10H2,1-3H3,(H,24,26)(H,25,29)
InChIKeyIDHJCPFMQJVVJT-UHFFFAOYSA-N
XLogP3.20
TPSA96.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one (CID 53390639) is 6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one is Cn1nc(Nc2cc(-c3ccc4c(c3)NC(=O)C4)cn3ccnc23)cc1C(C)(C)O.
What is the InChIKey of 6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one?
The InChIKey is IDHJCPFMQJVVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-22(2,30)18-11-19(26-27(18)3)24-17-9-15(12-28-7-6-23-21(17)28)13-4-5-14-10-20(29)25-16(14)8-13/h4-9,11-12,30H,10H2,1-3H3,(H,24,26)(H,25,29).
What are the key properties of 6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one?
6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one has a molecular weight of 402.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-[[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 53390639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).