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)-9H-pyrimido[4,5-b]indol-4-amine

C24H25N7O2 — CID 118340579

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)-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cnn4c3CCCC4)c12
InChIInChI=1S/C24H25N7O2/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/h9-11H,5-8H2,1-4H3,(H2,26,27,28,29)
InChIKeyMPENXRNTRYOLRT-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.98
Rot. Bonds4

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)-9H-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)-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 118340579) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 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)-9H-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)-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID118340579
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
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)-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cnn4c3CCCC4)c12
InChIInChI=1S/C24H25N7O2/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/h9-11H,5-8H2,1-4H3,(H2,26,27,28,29)
InChIKeyMPENXRNTRYOLRT-UHFFFAOYSA-N
XLogP4.98
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.98
H-Bond Donors ≤ 52
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)-9H-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)-9H-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)-9H-pyrimido[4,5-b]indol-4-amine (CID 118340579) 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)-9H-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)-9H-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)-9H-pyrimido[4,5-b]indol-4-amine is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cnn4c3CCCC4)c12.
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)-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is MPENXRNTRYOLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/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/h9-11H,5-8H2,1-4H3,(H2,26,27,28,29).
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)-9H-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)-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 443.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 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)-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 118340579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).