N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide

C24H24FN9O2 — CID 78322564

IUPACN-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide
SMILESN#Cc1cc(-c2nc(Nc3ccnc(NC(=O)CN4CCOCC4)c3)ncc2F)cnc1NC1CC1
InChIInChI=1S/C24H24FN9O2/c25-19-13-29-24(33-22(19)16-9-15(11-26)23(28-12-16)30-17-1-2-17)31-18-3-4-27-20(10-18)32-21(35)14-34-5-7-36-8-6-34/h3-4,9-10,12-13,17H,1-2,5-8,14H2,(H,28,30)(H2,27,29,31,32,33,35)
InChIKeyPQWODORNTXCXNF-UHFFFAOYSA-N
MW489.52 g/mol
LogP2.53
Rot. Bonds8

About N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide

N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 78322564) has the molecular formula C24H24FN9O2 and a molecular weight of 489.52 g/mol. Its IUPAC name is N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide
PubChem CID78322564
Molecular FormulaC24H24FN9O2
Molecular Weight489.52 g/mol
Exact Mass489.20
IUPAC NameN-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide
SMILESN#Cc1cc(-c2nc(Nc3ccnc(NC(=O)CN4CCOCC4)c3)ncc2F)cnc1NC1CC1
InChIInChI=1S/C24H24FN9O2/c25-19-13-29-24(33-22(19)16-9-15(11-26)23(28-12-16)30-17-1-2-17)31-18-3-4-27-20(10-18)32-21(35)14-34-5-7-36-8-6-34/h3-4,9-10,12-13,17H,1-2,5-8,14H2,(H,28,30)(H2,27,29,31,32,33,35)
InChIKeyPQWODORNTXCXNF-UHFFFAOYSA-N
XLogP2.53
TPSA140.98 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide (CID 78322564) is N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide is N#Cc1cc(-c2nc(Nc3ccnc(NC(=O)CN4CCOCC4)c3)ncc2F)cnc1NC1CC1.
What is the InChIKey of N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide?
The InChIKey is PQWODORNTXCXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O2/c25-19-13-29-24(33-22(19)16-9-15(11-26)23(28-12-16)30-17-1-2-17)31-18-3-4-27-20(10-18)32-21(35)14-34-5-7-36-8-6-34/h3-4,9-10,12-13,17H,1-2,5-8,14H2,(H,28,30)(H2,27,29,31,32,33,35).
What are the key properties of N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide?
N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 489.52 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-5-fluoropyrimidin-2-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 78322564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).