4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C23H21N5O2 — CID 90387464

IUPAC4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C3CC3)c12
InChIInChI=1S/C23H21N5O2/c1-11-20(12(2)30-28-11)15-8-18-14(9-19(15)29-3)21-17(26-18)6-7-24-23(21)16-10-25-27-22(16)13-4-5-13/h6-10,13,26H,4-5H2,1-3H3,(H,25,27)
InChIKeyNZVVWUONXHBAPK-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.26
Rot. Bonds4

About 4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90387464) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90387464
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C3CC3)c12
InChIInChI=1S/C23H21N5O2/c1-11-20(12(2)30-28-11)15-8-18-14(9-19(15)29-3)21-17(26-18)6-7-24-23(21)16-10-25-27-22(16)13-4-5-13/h6-10,13,26H,4-5H2,1-3H3,(H,25,27)
InChIKeyNZVVWUONXHBAPK-UHFFFAOYSA-N
XLogP5.26
TPSA92.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 90387464) is 4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C3CC3)c12.
What is the InChIKey of 4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NZVVWUONXHBAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-11-20(12(2)30-28-11)15-8-18-14(9-19(15)29-3)21-17(26-18)6-7-24-23(21)16-10-25-27-22(16)13-4-5-13/h6-10,13,26H,4-5H2,1-3H3,(H,25,27).
What are the key properties of 4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 399.45 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90387464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).