N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

C25H33FN6O3 — CID 167374993

IUPACN-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)N[C@@H]4CC[C@H](C)N(C)C4)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C25H33FN6O3/c1-15-4-5-17(14-31(15)2)28-23(33)16-6-9-32(25(12-16)7-8-25)24(34)21-11-20(29-30-21)18-10-22(35-3)27-13-19(18)26/h10-11,13,15-17H,4-9,12,14H2,1-3H3,(H,28,33)(H,29,30)/t15-,16?,17+/m0/s1
InChIKeyDZNFXWDYITYTCM-RPCGPGEBSA-N
MW484.58 g/mol
LogP2.60
Rot. Bonds5

About N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 167374993) has the molecular formula C25H33FN6O3 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID167374993
Molecular FormulaC25H33FN6O3
Molecular Weight484.58 g/mol
Exact Mass484.26
IUPAC NameN-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)N[C@@H]4CC[C@H](C)N(C)C4)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C25H33FN6O3/c1-15-4-5-17(14-31(15)2)28-23(33)16-6-9-32(25(12-16)7-8-25)24(34)21-11-20(29-30-21)18-10-22(35-3)27-13-19(18)26/h10-11,13,15-17H,4-9,12,14H2,1-3H3,(H,28,33)(H,29,30)/t15-,16?,17+/m0/s1
InChIKeyDZNFXWDYITYTCM-RPCGPGEBSA-N
XLogP2.60
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 167374993) is N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)N[C@@H]4CC[C@H](C)N(C)C4)CC34CC4)[nH]n2)c(F)cn1.
What is the InChIKey of N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is DZNFXWDYITYTCM-RPCGPGEBSA-N. The full InChI is InChI=1S/C25H33FN6O3/c1-15-4-5-17(14-31(15)2)28-23(33)16-6-9-32(25(12-16)7-8-25)24(34)21-11-20(29-30-21)18-10-22(35-3)27-13-19(18)26/h10-11,13,15-17H,4-9,12,14H2,1-3H3,(H,28,33)(H,29,30)/t15-,16?,17+/m0/s1.
What are the key properties of N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 167374993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).