N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine

C24H26FN7O2 — CID 118348606

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c3c([nH]c2c(F)c1-c1c(C)noc1C)NC(C)N=C3Nc1cc(C2CC2)nn1C
InChIInChI=1S/C24H26FN7O2/c1-10-18(11(2)34-31-10)20-16(33-5)8-14-19-23(26-12(3)27-24(19)29-22(14)21(20)25)28-17-9-15(13-6-7-13)30-32(17)4/h8-9,12-13,27,29H,6-7H2,1-5H3,(H,26,28)
InChIKeyLXQRGQJMVNTAFK-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.83
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine (PubChem CID 118348606) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
PubChem CID118348606
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c3c([nH]c2c(F)c1-c1c(C)noc1C)NC(C)N=C3Nc1cc(C2CC2)nn1C
InChIInChI=1S/C24H26FN7O2/c1-10-18(11(2)34-31-10)20-16(33-5)8-14-19-23(26-12(3)27-24(19)29-22(14)21(20)25)28-17-9-15(13-6-7-13)30-32(17)4/h8-9,12-13,27,29H,6-7H2,1-5H3,(H,26,28)
InChIKeyLXQRGQJMVNTAFK-UHFFFAOYSA-N
XLogP4.83
TPSA105.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine (CID 118348606) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine is COc1cc2c3c([nH]c2c(F)c1-c1c(C)noc1C)NC(C)N=C3Nc1cc(C2CC2)nn1C.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is LXQRGQJMVNTAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-10-18(11(2)34-31-10)20-16(33-5)8-14-19-23(26-12(3)27-24(19)29-22(14)21(20)25)28-17-9-15(13-6-7-13)30-32(17)4/h8-9,12-13,27,29H,6-7H2,1-5H3,(H,26,28).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 463.52 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-fluoro-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 118348606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).