2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide

C24H24FN9O3 — CID 146564791

IUPAC2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)CO)n1)CN(c1ncc(F)cn1)CC2
InChIInChI=1S/C24H24FN9O3/c1-14(13-35)34-22(30-31-32-34)19-4-3-5-21(28-19)29-23(36)18-8-16-12-33(24-26-10-17(25)11-27-24)7-6-15(16)9-20(18)37-2/h3-5,8-11,14,35H,6-7,12-13H2,1-2H3,(H,28,29,36)
InChIKeyKYDNAHKQIIJFON-UHFFFAOYSA-N
MW505.51 g/mol
LogP2.04
Rot. Bonds7

About 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide

2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 146564791) has the molecular formula C24H24FN9O3 and a molecular weight of 505.51 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID146564791
Molecular FormulaC24H24FN9O3
Molecular Weight505.51 g/mol
Exact Mass505.20
IUPAC Name2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)CO)n1)CN(c1ncc(F)cn1)CC2
InChIInChI=1S/C24H24FN9O3/c1-14(13-35)34-22(30-31-32-34)19-4-3-5-21(28-19)29-23(36)18-8-16-12-33(24-26-10-17(25)11-27-24)7-6-15(16)9-20(18)37-2/h3-5,8-11,14,35H,6-7,12-13H2,1-2H3,(H,28,29,36)
InChIKeyKYDNAHKQIIJFON-UHFFFAOYSA-N
XLogP2.04
TPSA144.07 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide with MolForge

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Related Compounds

4-methoxy-6-methyl-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145994100
N-[(1S,2S)-2-Hydroxycyclohexyl]-1-methoxy-4-{[6-(1H-pyrazol-1-yl)pyridine-3-yl]methyl}-2-naphthamide
CID 71281209
(8R)-15-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-14-fluoro-8-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 155568326
US11034671, Example 74
CID 138458361
US11034671, Example 64
CID 138458384
US11034671, Example 68
CID 138458392
US11034671, Example 52
CID 138458438
US11034671, Example 78
CID 138458605
US11034671, Example 87
CID 138458611
US11034671, Example 39
CID 138458677
US11034671, Example 98
CID 138459041
US11034671, Example 105
CID 138459220

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 146564791) is 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide is COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3C(C)CO)n1)CN(c1ncc(F)cn1)CC2.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is KYDNAHKQIIJFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O3/c1-14(13-35)34-22(30-31-32-34)19-4-3-5-21(28-19)29-23(36)18-8-16-12-33(24-26-10-17(25)11-27-24)7-6-15(16)9-20(18)37-2/h3-5,8-11,14,35H,6-7,12-13H2,1-2H3,(H,28,29,36).
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?
2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 505.51 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 146564791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).