4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C23H25N7O — CID 155109142

IUPAC4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2nc(Nc3ccc(N4CCCC4=O)cc3)nc(NC3CCCCC3)c12
InChIInChI=1S/C23H25N7O/c24-13-15-14-25-21-20(15)22(26-16-5-2-1-3-6-16)29-23(28-21)27-17-8-10-18(11-9-17)30-12-4-7-19(30)31/h8-11,14,16H,1-7,12H2,(H3,25,26,27,28,29)
InChIKeyAQTCRXFKEGCMPW-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.44
Rot. Bonds5

About 4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 155109142) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID155109142
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2nc(Nc3ccc(N4CCCC4=O)cc3)nc(NC3CCCCC3)c12
InChIInChI=1S/C23H25N7O/c24-13-15-14-25-21-20(15)22(26-16-5-2-1-3-6-16)29-23(28-21)27-17-8-10-18(11-9-17)30-12-4-7-19(30)31/h8-11,14,16H,1-7,12H2,(H3,25,26,27,28,29)
InChIKeyAQTCRXFKEGCMPW-UHFFFAOYSA-N
XLogP4.44
TPSA109.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 155109142) is 4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c[nH]c2nc(Nc3ccc(N4CCCC4=O)cc3)nc(NC3CCCCC3)c12.
What is the InChIKey of 4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is AQTCRXFKEGCMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c24-13-15-14-25-21-20(15)22(26-16-5-2-1-3-6-16)29-23(28-21)27-17-8-10-18(11-9-17)30-12-4-7-19(30)31/h8-11,14,16H,1-7,12H2,(H3,25,26,27,28,29).
What are the key properties of 4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 415.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 155109142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).