4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine

C26H29N5O2 — CID 67235977

IUPAC4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine
SMILESCOc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C26H29N5O2/c1-32-24-5-4-21-25(20-15-22(28-17-23(20)29-21)18-3-2-8-27-16-18)26(24)31-9-6-19(7-10-31)30-11-13-33-14-12-30/h2-5,8,15-17,19,29H,6-7,9-14H2,1H3
InChIKeyDSSOBOUASUYQRB-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.09
Rot. Bonds4

About 4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine

4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine (PubChem CID 67235977) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine
PubChem CID67235977
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine
SMILESCOc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C26H29N5O2/c1-32-24-5-4-21-25(20-15-22(28-17-23(20)29-21)18-3-2-8-27-16-18)26(24)31-9-6-19(7-10-31)30-11-13-33-14-12-30/h2-5,8,15-17,19,29H,6-7,9-14H2,1H3
InChIKeyDSSOBOUASUYQRB-UHFFFAOYSA-N
XLogP4.09
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine (CID 67235977) is 4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine is COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine?
The InChIKey is DSSOBOUASUYQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-32-24-5-4-21-25(20-15-22(28-17-23(20)29-21)18-3-2-8-27-16-18)26(24)31-9-6-19(7-10-31)30-11-13-33-14-12-30/h2-5,8,15-17,19,29H,6-7,9-14H2,1H3.
What are the key properties of 4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine?
4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine has a molecular weight of 443.55 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 67235977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).