2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]

C25H29ClF2N4O2S — CID 67168881

IUPAC2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1nn(-c2ncccc2OCC2CC2)cc1CN1CCC2(CC1)OCC(F)(F)C1C=C(Cl)SC12
InChIInChI=1S/C25H29ClF2N4O2S/c1-16-18(13-32(30-16)23-20(3-2-8-29-23)33-14-17-4-5-17)12-31-9-6-24(7-10-31)22-19(11-21(26)35-22)25(27,28)15-34-24/h2-3,8,11,13,17,19,22H,4-7,9-10,12,14-15H2,1H3
InChIKeyNSPSSEFHQIRUOV-UHFFFAOYSA-N
MW523.05 g/mol
LogP5.18
Rot. Bonds6

About 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]

2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 67168881) has the molecular formula C25H29ClF2N4O2S and a molecular weight of 523.05 g/mol. Its IUPAC name is 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID67168881
Molecular FormulaC25H29ClF2N4O2S
Molecular Weight523.05 g/mol
Exact Mass522.17
IUPAC Name2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1nn(-c2ncccc2OCC2CC2)cc1CN1CCC2(CC1)OCC(F)(F)C1C=C(Cl)SC12
InChIInChI=1S/C25H29ClF2N4O2S/c1-16-18(13-32(30-16)23-20(3-2-8-29-23)33-14-17-4-5-17)12-31-9-6-24(7-10-31)22-19(11-21(26)35-22)25(27,28)15-34-24/h2-3,8,11,13,17,19,22H,4-7,9-10,12,14-15H2,1H3
InChIKeyNSPSSEFHQIRUOV-UHFFFAOYSA-N
XLogP5.18
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.05
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-4,4-difluoro-1'-[[3-methyl-1-(3-methyl-2-pyridinyl)pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]
CID 67168213
2-chloro-4,4-difluoro-1'-[[3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methyl]spiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]
CID 67169870
2-[[2-[4-[(2-chloro-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetamide
CID 67170132
1'-[[1-[3-(cyclopropylmethoxymethyl)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 58268634
N-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methylidene]hydroxylamine
CID 76750708
4-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methyl]morpholin-3-one
CID 58268636
(NE)-N-[[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]methylidene]hydroxylamine;(2R,3R)-2,3,4-trihydroxypent-4-enoic acid
CID 172946906
N-methyl-2-[3-methyl-4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 44561496
2-chloro-4,4-difluoro-1'-[[1-[3-(imidazol-1-ylmethyl)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine];(2R,3R)-2,3-dihydroxybutanedioic acid
CID 158063936
4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine
CID 143302173
8-[[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-5-oxa-8-azaspiro[2.6]nonane
CID 154743738
1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 77082596

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] (CID 67168881) is 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] is Cc1nn(-c2ncccc2OCC2CC2)cc1CN1CCC2(CC1)OCC(F)(F)C1C=C(Cl)SC12.
What is the InChIKey of 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is NSPSSEFHQIRUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF2N4O2S/c1-16-18(13-32(30-16)23-20(3-2-8-29-23)33-14-17-4-5-17)12-31-9-6-24(7-10-31)22-19(11-21(26)35-22)25(27,28)15-34-24/h2-3,8,11,13,17,19,22H,4-7,9-10,12,14-15H2,1H3.
What are the key properties of 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine]?
2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 523.05 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1'-[[1-[3-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]-4,4-difluorospiro[5,7a-dihydro-3aH-thieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 67168881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).