17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene

C32H19N5Po — CID 144667262

IUPAC17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c32)[Po]c2c(-n3cccn3)ccc3c5ccccc5n-4c23)nc1
InChIInChI=1S/C32H19N5.Po/c1-3-10-28-24(8-1)26-15-13-22(35-19-7-18-34-35)20-30(26)36(28)23-14-16-27-25-9-2-4-11-29(25)37(31(27)21-23)32-12-5-6-17-33-32;/h1-19H;
InChIKeyWURVNNGVOQBFTG-UHFFFAOYSA-N
MW682.54 g/mol
LogP5.43
Rot. Bonds2

About 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene

17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene (PubChem CID 144667262) has the molecular formula C32H19N5Po and a molecular weight of 682.54 g/mol. Its IUPAC name is 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene.

Molecular Properties

Compound Name17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene
PubChem CID144667262
Molecular FormulaC32H19N5Po
Molecular Weight682.54 g/mol
Exact Mass682.15
IUPAC Name17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c32)[Po]c2c(-n3cccn3)ccc3c5ccccc5n-4c23)nc1
InChIInChI=1S/C32H19N5.Po/c1-3-10-28-24(8-1)26-15-13-22(35-19-7-18-34-35)20-30(26)36(28)23-14-16-27-25-9-2-4-11-29(25)37(31(27)21-23)32-12-5-6-17-33-32;/h1-19H;
InChIKeyWURVNNGVOQBFTG-UHFFFAOYSA-N
XLogP5.43
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.54
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene with MolForge

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Related Compounds

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CID 11603648
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinazolin-7-amine
CID 164615854
Dihydropyrrolopyrazole, 12
CID 21992881
5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 162648865
2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 164622238
3-Pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58515204
4-[6-(4-Piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-amine
CID 117602334
4-[6-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118875962
US10023570, Example 483
CID 124200112
US10023570, Example 653
CID 124200172
6-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-N-(4-tert-butylphenyl)-N-[1-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]pyridin-2-amine;platinum(2+)
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Frequently Asked Questions

What is the IUPAC name of 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?
The IUPAC name of 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene (CID 144667262) is 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene.
What is the SMILES notation for 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?
The canonical SMILES for 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene is c1ccc(-n2c3ccccc3c3ccc4c(c32)[Po]c2c(-n3cccn3)ccc3c5ccccc5n-4c23)nc1.
What is the InChIKey of 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?
The InChIKey is WURVNNGVOQBFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N5.Po/c1-3-10-28-24(8-1)26-15-13-22(35-19-7-18-34-35)20-30(26)36(28)23-14-16-27-25-9-2-4-11-29(25)37(31(27)21-23)32-12-5-6-17-33-32;/h1-19H;.
What are the key properties of 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?
17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene has a molecular weight of 682.54 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-pyrazol-1-yl-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene is sourced from PubChem (CID 144667262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).