1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide

C23H26F2N6O3 — CID 90443962

IUPAC1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide
SMILESO=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccn(C(F)F)n1
InChIInChI=1S/C23H26F2N6O3/c24-23(25)31-8-5-18(29-31)22(32)28-15-1-3-17(4-2-15)34-20-14-16(30-9-11-33-12-10-30)13-19-21(20)27-7-6-26-19/h5-8,13-15,17,23H,1-4,9-12H2,(H,28,32)
InChIKeyTVNAENRGZMWEKD-UHFFFAOYSA-N
MW472.50 g/mol
LogP3.18
Rot. Bonds6

About 1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide (PubChem CID 90443962) has the molecular formula C23H26F2N6O3 and a molecular weight of 472.50 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide
PubChem CID90443962
Molecular FormulaC23H26F2N6O3
Molecular Weight472.50 g/mol
Exact Mass472.20
IUPAC Name1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide
SMILESO=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccn(C(F)F)n1
InChIInChI=1S/C23H26F2N6O3/c24-23(25)31-8-5-18(29-31)22(32)28-15-1-3-17(4-2-15)34-20-14-16(30-9-11-33-12-10-30)13-19-21(20)27-7-6-26-19/h5-8,13-15,17,23H,1-4,9-12H2,(H,28,32)
InChIKeyTVNAENRGZMWEKD-UHFFFAOYSA-N
XLogP3.18
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide (CID 90443962) is 1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide is O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide?
The InChIKey is TVNAENRGZMWEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O3/c24-23(25)31-8-5-18(29-31)22(32)28-15-1-3-17(4-2-15)34-20-14-16(30-9-11-33-12-10-30)13-19-21(20)27-7-6-26-19/h5-8,13-15,17,23H,1-4,9-12H2,(H,28,32).
What are the key properties of 1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazole-3-carboxamide is sourced from PubChem (CID 90443962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).