(1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C18H24N6O2 — CID 97487446

IUPAC(1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCn1cc(C(=O)N2CC[C@]3(CCC[C@H](CNc4ncccn4)O3)C2)cn1
InChIInChI=1S/C18H24N6O2/c1-23-12-14(10-22-23)16(25)24-9-6-18(13-24)5-2-4-15(26-18)11-21-17-19-7-3-8-20-17/h3,7-8,10,12,15H,2,4-6,9,11,13H2,1H3,(H,19,20,21)/t15-,18-/m1/s1
InChIKeyKCSXXIURNSFYDL-CRAIPNDOSA-N
MW356.43 g/mol
LogP1.48
Rot. Bonds4

About (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 97487446) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID97487446
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCn1cc(C(=O)N2CC[C@]3(CCC[C@H](CNc4ncccn4)O3)C2)cn1
InChIInChI=1S/C18H24N6O2/c1-23-12-14(10-22-23)16(25)24-9-6-18(13-24)5-2-4-15(26-18)11-21-17-19-7-3-8-20-17/h3,7-8,10,12,15H,2,4-6,9,11,13H2,1H3,(H,19,20,21)/t15-,18-/m1/s1
InChIKeyKCSXXIURNSFYDL-CRAIPNDOSA-N
XLogP1.48
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 133144915
(1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843695
1-ethyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117740
1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117849
1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117876
N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126467122
[3-[[2-Methoxyethyl(methyl)amino]methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 131654289
(3-Propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 134071255
(3-Methyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 134073958
(3-Ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 134073960
1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 155901427
N-[2-(2-methylcyclohexyl)oxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71941523

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 97487446) is (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is Cn1cc(C(=O)N2CC[C@]3(CCC[C@H](CNc4ncccn4)O3)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is KCSXXIURNSFYDL-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-23-12-14(10-22-23)16(25)24-9-6-18(13-24)5-2-4-15(26-18)11-21-17-19-7-3-8-20-17/h3,7-8,10,12,15H,2,4-6,9,11,13H2,1H3,(H,19,20,21)/t15-,18-/m1/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97487446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).