6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine

C22H22N8O — CID 71520769

IUPAC6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccncc3)ccc12
InChIInChI=1S/C22H22N8O/c23-20-16-2-1-14(13-18(16)27-28-20)19-17-5-8-30(15-3-6-24-7-4-15)21(17)26-22(25-19)29-9-11-31-12-10-29/h1-4,6-7,13H,5,8-12H2,(H3,23,27,28)
InChIKeyOTVKDVFQVFGBKU-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.53
Rot. Bonds3

About 6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine

6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine (PubChem CID 71520769) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine
PubChem CID71520769
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccncc3)ccc12
InChIInChI=1S/C22H22N8O/c23-20-16-2-1-14(13-18(16)27-28-20)19-17-5-8-30(15-3-6-24-7-4-15)21(17)26-22(25-19)29-9-11-31-12-10-29/h1-4,6-7,13H,5,8-12H2,(H3,23,27,28)
InChIKeyOTVKDVFQVFGBKU-UHFFFAOYSA-N
XLogP2.53
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine?
The IUPAC name of 6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine (CID 71520769) is 6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine is Nc1n[nH]c2cc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccncc3)ccc12.
What is the InChIKey of 6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine?
The InChIKey is OTVKDVFQVFGBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c23-20-16-2-1-14(13-18(16)27-28-20)19-17-5-8-30(15-3-6-24-7-4-15)21(17)26-22(25-19)29-9-11-31-12-10-29/h1-4,6-7,13H,5,8-12H2,(H3,23,27,28).
What are the key properties of 6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine?
6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine has a molecular weight of 414.47 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 71520769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).