(2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)

C27H29F6N7O5 — CID 155851271

IUPAC(2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)n1cc2c(n1)C1(CCN(c3ncccn3)CC1)CN(C(=O)c1ccncc1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N7O.2C2HF3O2/c1-17(2)30-15-19-14-29(21(31)18-4-10-24-11-5-18)16-23(20(19)27-30)6-12-28(13-7-23)22-25-8-3-9-26-22;2*3-2(4,5)1(6)7/h3-5,8-11,15,17H,6-7,12-14,16H2,1-2H3;2*(H,6,7)
InChIKeyLOSZXNQUXJCLSW-UHFFFAOYSA-N
MW645.56 g/mol
LogP4.11
Rot. Bonds3

About (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)

(2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155851271) has the molecular formula C27H29F6N7O5 and a molecular weight of 645.56 g/mol. Its IUPAC name is (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name(2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID155851271
Molecular FormulaC27H29F6N7O5
Molecular Weight645.56 g/mol
Exact Mass645.21
IUPAC Name(2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)n1cc2c(n1)C1(CCN(c3ncccn3)CC1)CN(C(=O)c1ccncc1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N7O.2C2HF3O2/c1-17(2)30-15-19-14-29(21(31)18-4-10-24-11-5-18)16-23(20(19)27-30)6-12-28(13-7-23)22-25-8-3-9-26-22;2*3-2(4,5)1(6)7/h3-5,8-11,15,17H,6-7,12-14,16H2,1-2H3;2*(H,6,7)
InChIKeyLOSZXNQUXJCLSW-UHFFFAOYSA-N
XLogP4.11
TPSA154.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.56
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) with MolForge

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Launch Full Analysis

Related Compounds

2-phenyl-1-(2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155836460
2,5-dimethyl-3-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 155839363
(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742354
2,2,2-trifluoroacetic acid;N,N,2-trimethyl-5-(5-methylpyridine-3-carbonyl)spiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-1'-carboxamide
CID 155862014
pyridin-3-yl-(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844882
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
furan-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155842296
(4-methylphenyl)-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 155865655
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855059
[4-(methoxymethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827685
1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
CID 155825279
(1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155833317

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (CID 155851271) is (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is CC(C)n1cc2c(n1)C1(CCN(c3ncccn3)CC1)CN(C(=O)c1ccncc1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LOSZXNQUXJCLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O.2C2HF3O2/c1-17(2)30-15-19-14-29(21(31)18-4-10-24-11-5-18)16-23(20(19)27-30)6-12-28(13-7-23)22-25-8-3-9-26-22;2*3-2(4,5)1(6)7/h3-5,8-11,15,17H,6-7,12-14,16H2,1-2H3;2*(H,6,7).
What are the key properties of (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
(2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 645.56 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1'-pyrimidin-2-ylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,4'-piperidine]-5-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155851271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).