(1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine

C23H27N3O — CID 141226541

IUPAC(1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine
SMILESCCC(C/C=C1\OCCc2c1[nH]c1ccccc21)(c1ccccn1)N(C)C
InChIInChI=1S/C23H27N3O/c1-4-23(26(2)3,21-11-7-8-15-24-21)14-12-20-22-18(13-16-27-20)17-9-5-6-10-19(17)25-22/h5-12,15,25H,4,13-14,16H2,1-3H3/b20-12-
InChIKeyOIPDDUSGUOUCQZ-NDENLUEZSA-N
MW361.49 g/mol
LogP4.73
Rot. Bonds5

About (1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine

(1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine (PubChem CID 141226541) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine.

Molecular Properties

Compound Name(1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine
PubChem CID141226541
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine
SMILESCCC(C/C=C1\OCCc2c1[nH]c1ccccc21)(c1ccccn1)N(C)C
InChIInChI=1S/C23H27N3O/c1-4-23(26(2)3,21-11-7-8-15-24-21)14-12-20-22-18(13-16-27-20)17-9-5-6-10-19(17)25-22/h5-12,15,25H,4,13-14,16H2,1-3H3/b20-12-
InChIKeyOIPDDUSGUOUCQZ-NDENLUEZSA-N
XLogP4.73
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine?
The IUPAC name of (1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine (CID 141226541) is (1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine.
What is the SMILES notation for (1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine?
The canonical SMILES for (1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine is CCC(C/C=C1\OCCc2c1[nH]c1ccccc21)(c1ccccn1)N(C)C.
What is the InChIKey of (1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine?
The InChIKey is OIPDDUSGUOUCQZ-NDENLUEZSA-N. The full InChI is InChI=1S/C23H27N3O/c1-4-23(26(2)3,21-11-7-8-15-24-21)14-12-20-22-18(13-16-27-20)17-9-5-6-10-19(17)25-22/h5-12,15,25H,4,13-14,16H2,1-3H3/b20-12-.
What are the key properties of (1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine?
(1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine has a molecular weight of 361.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4,9-dihydro-3H-pyrano[3,4-b]indol-1-ylidene)-N,N-dimethyl-3-pyridin-2-ylpentan-3-amine is sourced from PubChem (CID 141226541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).