methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

C26H33N7O2S — CID 157447833

IUPACmethane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
SMILESC.O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1
InChIInChI=1S/C25H29N7O2S.CH4/c33-24(27-17-25(4-2-1-3-5-25)31-6-8-34-9-7-31)22-10-18(16-35-22)21-14-30-32-15-20(11-26-23(21)32)19-12-28-29-13-19;/h10-16H,1-9,17H2,(H,27,33)(H,28,29);1H4
InChIKeyBSKZMELRCIXZKX-UHFFFAOYSA-N
MW507.66 g/mol
LogP4.25
Rot. Bonds6

About methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (PubChem CID 157447833) has the molecular formula C26H33N7O2S and a molecular weight of 507.66 g/mol. Its IUPAC name is methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Namemethane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
PubChem CID157447833
Molecular FormulaC26H33N7O2S
Molecular Weight507.66 g/mol
Exact Mass507.24
IUPAC Namemethane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
SMILESC.O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1
InChIInChI=1S/C25H29N7O2S.CH4/c33-24(27-17-25(4-2-1-3-5-25)31-6-8-34-9-7-31)22-10-18(16-35-22)21-14-30-32-15-20(11-26-23(21)32)19-12-28-29-13-19;/h10-16H,1-9,17H2,(H,27,33)(H,28,29);1H4
InChIKeyBSKZMELRCIXZKX-UHFFFAOYSA-N
XLogP4.25
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.66
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (CID 157447833) is methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is C.O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1.
What is the InChIKey of methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
The InChIKey is BSKZMELRCIXZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S.CH4/c33-24(27-17-25(4-2-1-3-5-25)31-6-8-34-9-7-31)22-10-18(16-35-22)21-14-30-32-15-20(11-26-23(21)32)19-12-28-29-13-19;/h10-16H,1-9,17H2,(H,27,33)(H,28,29);1H4.
What are the key properties of methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?
methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide has a molecular weight of 507.66 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 157447833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).