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

C24H24FN9O3 — CID 146564790

IUPAC2-(5-fluoropyrimidin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](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)/t14-/m1/s1
InChIKeyKYDNAHKQIIJFON-CQSZACIVSA-N
MW505.51 g/mol
LogP2.04
Rot. Bonds7

About 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-[(2R)-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-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 146564790) 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-[(2R)-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-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID146564790
Molecular FormulaC24H24FN9O3
Molecular Weight505.51 g/mol
Exact Mass505.20
IUPAC Name2-(5-fluoropyrimidin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](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)/t14-/m1/s1
InChIKeyKYDNAHKQIIJFON-CQSZACIVSA-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-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-[(2R)-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-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 146564790) is 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-[(2R)-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-[(2R)-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-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide is COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(c1ncc(F)cn1)CC2.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is KYDNAHKQIIJFON-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-N-[6-[1-[(2R)-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-[(2R)-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-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 146564790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).