6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C20H23N5O3 — CID 5174730

IUPAC6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCOCC1
InChIInChI=1S/C20H23N5O3/c1-12-17-18(15(10-21)19(22)28-20(17)24-23-12)13-3-4-16(26-2)14(9-13)11-25-5-7-27-8-6-25/h3-4,9,18H,5-8,11,22H2,1-2H3,(H,23,24)
InChIKeyBLBVMOZAZQLCMR-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.78
Rot. Bonds4

About 6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 5174730) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID5174730
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCOCC1
InChIInChI=1S/C20H23N5O3/c1-12-17-18(15(10-21)19(22)28-20(17)24-23-12)13-3-4-16(26-2)14(9-13)11-25-5-7-27-8-6-25/h3-4,9,18H,5-8,11,22H2,1-2H3,(H,23,24)
InChIKeyBLBVMOZAZQLCMR-UHFFFAOYSA-N
XLogP1.78
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 5174730) is 6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCOCC1.
What is the InChIKey of 6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is BLBVMOZAZQLCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-17-18(15(10-21)19(22)28-20(17)24-23-12)13-3-4-16(26-2)14(9-13)11-25-5-7-27-8-6-25/h3-4,9,18H,5-8,11,22H2,1-2H3,(H,23,24).
What are the key properties of 6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 381.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 5174730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).