7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine

C24H27N7O2 — CID 137001014

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c3c([nH]c2cc1-c1c(C)noc1C)NC(C)N=C3Nc1cnn2c1CCCC2
InChIInChI=1S/C24H27N7O2/c1-12-21(13(2)33-30-12)16-9-17-15(10-20(16)32-4)22-23(28-17)26-14(3)27-24(22)29-18-11-25-31-8-6-5-7-19(18)31/h9-11,14,26,28H,5-8H2,1-4H3,(H,27,29)
InChIKeyMGRXMYRTJAKDME-UHFFFAOYSA-N
MW445.53 g/mol
LogP4.61
Rot. Bonds3

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine (PubChem CID 137001014) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
PubChem CID137001014
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c3c([nH]c2cc1-c1c(C)noc1C)NC(C)N=C3Nc1cnn2c1CCCC2
InChIInChI=1S/C24H27N7O2/c1-12-21(13(2)33-30-12)16-9-17-15(10-20(16)32-4)22-23(28-17)26-14(3)27-24(22)29-18-11-25-31-8-6-5-7-19(18)31/h9-11,14,26,28H,5-8H2,1-4H3,(H,27,29)
InChIKeyMGRXMYRTJAKDME-UHFFFAOYSA-N
XLogP4.61
TPSA105.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-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 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine (CID 137001014) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine is COc1cc2c3c([nH]c2cc1-c1c(C)noc1C)NC(C)N=C3Nc1cnn2c1CCCC2.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is MGRXMYRTJAKDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-12-21(13(2)33-30-12)16-9-17-15(10-20(16)32-4)22-23(28-17)26-14(3)27-24(22)29-18-11-25-31-8-6-5-7-19(18)31/h9-11,14,26,28H,5-8H2,1-4H3,(H,27,29).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 445.53 g/mol, XLogP of 4.61, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 137001014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).