N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

C24H33F2N11O3 — CID 165401959

IUPACN-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CCN(C(=O)CNC(=O)C4CCNCC4)CC3)n2)c(C(F)F)n1
InChIInChI=1S/C24H33F2N11O3/c25-19(26)18-16(13-30-22(27)31-18)20-32-23(34-24(33-20)37-9-11-40-12-10-37)36-7-5-35(6-8-36)17(38)14-29-21(39)15-1-3-28-4-2-15/h13,15,19,28H,1-12,14H2,(H,29,39)(H2,27,30,31)
InChIKeyDCBSEKJJJJNILB-UHFFFAOYSA-N
MW561.60 g/mol
LogP-0.55
Rot. Bonds7

About N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 165401959) has the molecular formula C24H33F2N11O3 and a molecular weight of 561.60 g/mol. Its IUPAC name is N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID165401959
Molecular FormulaC24H33F2N11O3
Molecular Weight561.60 g/mol
Exact Mass561.27
IUPAC NameN-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESNc1ncc(-c2nc(N3CCOCC3)nc(N3CCN(C(=O)CNC(=O)C4CCNCC4)CC3)n2)c(C(F)F)n1
InChIInChI=1S/C24H33F2N11O3/c25-19(26)18-16(13-30-22(27)31-18)20-32-23(34-24(33-20)37-9-11-40-12-10-37)36-7-5-35(6-8-36)17(38)14-29-21(39)15-1-3-28-4-2-15/h13,15,19,28H,1-12,14H2,(H,29,39)(H2,27,30,31)
InChIKeyDCBSEKJJJJNILB-UHFFFAOYSA-N
XLogP-0.55
TPSA167.62 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.60
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 165401959) is N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is Nc1ncc(-c2nc(N3CCOCC3)nc(N3CCN(C(=O)CNC(=O)C4CCNCC4)CC3)n2)c(C(F)F)n1.
What is the InChIKey of N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is DCBSEKJJJJNILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N11O3/c25-19(26)18-16(13-30-22(27)31-18)20-32-23(34-24(33-20)37-9-11-40-12-10-37)36-7-5-35(6-8-36)17(38)14-29-21(39)15-1-3-28-4-2-15/h13,15,19,28H,1-12,14H2,(H,29,39)(H2,27,30,31).
What are the key properties of N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 561.60 g/mol, XLogP of -0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 165401959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).