N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine

C26H29N5O — CID 141177489

IUPACN-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine
SMILESCC(C)N1CCN(c2ccc(N/C=C3\CN=Cc4ccc(-c5ccoc5)cc43)nc2)CC1
InChIInChI=1S/C26H29N5O/c1-19(2)30-8-10-31(11-9-30)24-5-6-26(29-17-24)28-16-23-15-27-14-21-4-3-20(13-25(21)23)22-7-12-32-18-22/h3-7,12-14,16-19H,8-11,15H2,1-2H3,(H,28,29)/b23-16+
InChIKeyIONPOKYUUDLAQS-XQNSMLJCSA-N
MW427.55 g/mol
LogP4.76
Rot. Bonds5

About N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine

N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine (PubChem CID 141177489) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine
PubChem CID141177489
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC NameN-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine
SMILESCC(C)N1CCN(c2ccc(N/C=C3\CN=Cc4ccc(-c5ccoc5)cc43)nc2)CC1
InChIInChI=1S/C26H29N5O/c1-19(2)30-8-10-31(11-9-30)24-5-6-26(29-17-24)28-16-23-15-27-14-21-4-3-20(13-25(21)23)22-7-12-32-18-22/h3-7,12-14,16-19H,8-11,15H2,1-2H3,(H,28,29)/b23-16+
InChIKeyIONPOKYUUDLAQS-XQNSMLJCSA-N
XLogP4.76
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine (CID 141177489) is N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine is CC(C)N1CCN(c2ccc(N/C=C3\CN=Cc4ccc(-c5ccoc5)cc43)nc2)CC1.
What is the InChIKey of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is IONPOKYUUDLAQS-XQNSMLJCSA-N. The full InChI is InChI=1S/C26H29N5O/c1-19(2)30-8-10-31(11-9-30)24-5-6-26(29-17-24)28-16-23-15-27-14-21-4-3-20(13-25(21)23)22-7-12-32-18-22/h3-7,12-14,16-19H,8-11,15H2,1-2H3,(H,28,29)/b23-16+.
What are the key properties of N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine?
N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 427.55 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[6-(furan-3-yl)-3H-isoquinolin-4-ylidene]methyl]-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 141177489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).