N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

C26H34N6O3 — CID 168764451

IUPACN-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCOC3(CCC3)C2)nc1)C(C1CC1)C1CC1
InChIInChI=1S/C26H34N6O3/c1-31-20(9-12-28-31)24(33)30-23(22(17-3-4-17)18-5-6-18)25(34)29-19-7-8-21(27-15-19)32-13-14-35-26(16-32)10-2-11-26/h7-9,12,15,17-18,22-23H,2-6,10-11,13-14,16H2,1H3,(H,29,34)(H,30,33)/t23-/m0/s1
InChIKeyPAEYOBOERZAJDD-QHCPKHFHSA-N
MW478.60 g/mol
LogP2.75
Rot. Bonds8

About N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 168764451) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID168764451
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC NameN-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCOC3(CCC3)C2)nc1)C(C1CC1)C1CC1
InChIInChI=1S/C26H34N6O3/c1-31-20(9-12-28-31)24(33)30-23(22(17-3-4-17)18-5-6-18)25(34)29-19-7-8-21(27-15-19)32-13-14-35-26(16-32)10-2-11-26/h7-9,12,15,17-18,22-23H,2-6,10-11,13-14,16H2,1H3,(H,29,34)(H,30,33)/t23-/m0/s1
InChIKeyPAEYOBOERZAJDD-QHCPKHFHSA-N
XLogP2.75
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54761643
6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548323
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (3-cyclopropylcarbamoyl-1-methyl-1H-pyrazol-4-yl)-amide
CID 70116530
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (3-cyclobutylcarbamoyl-1-methyl-1H-pyrazol-4-yl)-amide
CID 70117257
6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-(2-methoxyethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 84973156
N-[4-[(7R)-4-oxo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 157049302
6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 123958596
US9586948, Example 15
CID 117871558
US9586948, Example 34
CID 117871760
US9586948, Example 1
CID 117871929
US9586948, Example 40
CID 117872205
US9586948, Example 46
CID 117872315

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (CID 168764451) is N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCOC3(CCC3)C2)nc1)C(C1CC1)C1CC1.
What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is PAEYOBOERZAJDD-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-31-20(9-12-28-31)24(33)30-23(22(17-3-4-17)18-5-6-18)25(34)29-19-7-8-21(27-15-19)32-13-14-35-26(16-32)10-2-11-26/h7-9,12,15,17-18,22-23H,2-6,10-11,13-14,16H2,1H3,(H,29,34)(H,30,33)/t23-/m0/s1.
What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?
N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1-dicyclopropyl-3-[[6-(5-oxa-8-azaspiro[3.5]nonan-8-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 168764451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).