N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine

C20H22N6O — CID 72548802

IUPACN-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
SMILESCC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CCCC3
InChIInChI=1S/C20H22N6O/c1-11(2)27-17-8-15-12(9-23-26-15)7-16(17)25-20-18-13-5-3-4-6-14(13)24-19(18)21-10-22-20/h7-11H,3-6H2,1-2H3,(H,23,26)(H2,21,22,24,25)
InChIKeyQKLGQNYZGDJVHG-UHFFFAOYSA-N
MW362.44 g/mol
LogP4.24
Rot. Bonds4

About N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine

N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine (PubChem CID 72548802) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound NameN-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
PubChem CID72548802
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine
SMILESCC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CCCC3
InChIInChI=1S/C20H22N6O/c1-11(2)27-17-8-15-12(9-23-26-15)7-16(17)25-20-18-13-5-3-4-6-14(13)24-19(18)21-10-22-20/h7-11H,3-6H2,1-2H3,(H,23,26)(H2,21,22,24,25)
InChIKeyQKLGQNYZGDJVHG-UHFFFAOYSA-N
XLogP4.24
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine (CID 72548802) is N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine is CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3c(c12)CCCC3.
What is the InChIKey of N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is QKLGQNYZGDJVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-11(2)27-17-8-15-12(9-23-26-15)7-16(17)25-20-18-13-5-3-4-6-14(13)24-19(18)21-10-22-20/h7-11H,3-6H2,1-2H3,(H,23,26)(H2,21,22,24,25).
What are the key properties of N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine?
N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 362.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-yloxy-1H-indazol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 72548802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).