N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide

C25H29N7O4 — CID 67064759

IUPACN-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide
SMILESO=C1COc2c(CN3CCCC(C(=O)Nc4cc(N5CCOCC5)n5nccc5n4)C3)cccc2N1
InChIInChI=1S/C25H29N7O4/c33-22-16-36-24-17(3-1-5-19(24)27-22)14-30-8-2-4-18(15-30)25(34)29-20-13-23(31-9-11-35-12-10-31)32-21(28-20)6-7-26-32/h1,3,5-7,13,18H,2,4,8-12,14-16H2,(H,27,33)(H,28,29,34)
InChIKeyRKUJQNDBGQIOIK-UHFFFAOYSA-N
MW491.55 g/mol
LogP1.75
Rot. Bonds5

About N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide

N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide (PubChem CID 67064759) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide
PubChem CID67064759
Molecular FormulaC25H29N7O4
Molecular Weight491.55 g/mol
Exact Mass491.23
IUPAC NameN-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide
SMILESO=C1COc2c(CN3CCCC(C(=O)Nc4cc(N5CCOCC5)n5nccc5n4)C3)cccc2N1
InChIInChI=1S/C25H29N7O4/c33-22-16-36-24-17(3-1-5-19(24)27-22)14-30-8-2-4-18(15-30)25(34)29-20-13-23(31-9-11-35-12-10-31)32-21(28-20)6-7-26-32/h1,3,5-7,13,18H,2,4,8-12,14-16H2,(H,27,33)(H,28,29,34)
InChIKeyRKUJQNDBGQIOIK-UHFFFAOYSA-N
XLogP1.75
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 97332173
2-(4-morpholin-4-ylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630261
(3S)-1-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 67064280
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 95155016
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
N-[7-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanecarboxamide
CID 177348624
N-pyridin-2-yl-1-(2H-triazol-4-ylmethyl)piperidine-3-carboxamide
CID 154802595
4-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-1-carboxylic acid
CID 69414379
(3R)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 93053346
1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45226311
N-naphthalen-2-yl-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919649
N-(4-fluorophenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921446

Frequently Asked Questions

What is the IUPAC name of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide (CID 67064759) is N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide is O=C1COc2c(CN3CCCC(C(=O)Nc4cc(N5CCOCC5)n5nccc5n4)C3)cccc2N1.
What is the InChIKey of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide?
The InChIKey is RKUJQNDBGQIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4/c33-22-16-36-24-17(3-1-5-19(24)27-22)14-30-8-2-4-18(15-30)25(34)29-20-13-23(31-9-11-35-12-10-31)32-21(28-20)6-7-26-32/h1,3,5-7,13,18H,2,4,8-12,14-16H2,(H,27,33)(H,28,29,34).
What are the key properties of N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide?
N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide has a molecular weight of 491.55 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 67064759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).