7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine

C19H27FN6 — CID 67464051

IUPAC7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine
SMILESCCn1cc(C2C=C3C(=C(N)N2)CC=CN3C[C@]2(F)CCCNC2)cn1
InChIInChI=1S/C19H27FN6/c1-2-26-11-14(10-23-26)16-9-17-15(18(21)24-16)5-3-8-25(17)13-19(20)6-4-7-22-12-19/h3,8-11,16,22,24H,2,4-7,12-13,21H2,1H3/t16?,19-/m0/s1
InChIKeyYHJRVUAKFFQRCS-CVMIBEPCSA-N
MW358.47 g/mol
LogP1.91
Rot. Bonds4

About 7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine

7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine (PubChem CID 67464051) has the molecular formula C19H27FN6 and a molecular weight of 358.47 g/mol. Its IUPAC name is 7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine.

Molecular Properties

Compound Name7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine
PubChem CID67464051
Molecular FormulaC19H27FN6
Molecular Weight358.47 g/mol
Exact Mass358.23
IUPAC Name7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine
SMILESCCn1cc(C2C=C3C(=C(N)N2)CC=CN3C[C@]2(F)CCCNC2)cn1
InChIInChI=1S/C19H27FN6/c1-2-26-11-14(10-23-26)16-9-17-15(18(21)24-16)5-3-8-25(17)13-19(20)6-4-7-22-12-19/h3,8-11,16,22,24H,2,4-7,12-13,21H2,1H3/t16?,19-/m0/s1
InChIKeyYHJRVUAKFFQRCS-CVMIBEPCSA-N
XLogP1.91
TPSA71.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine?
The IUPAC name of 7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine (CID 67464051) is 7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine.
What is the SMILES notation for 7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine?
The canonical SMILES for 7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine is CCn1cc(C2C=C3C(=C(N)N2)CC=CN3C[C@]2(F)CCCNC2)cn1.
What is the InChIKey of 7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine?
The InChIKey is YHJRVUAKFFQRCS-CVMIBEPCSA-N. The full InChI is InChI=1S/C19H27FN6/c1-2-26-11-14(10-23-26)16-9-17-15(18(21)24-16)5-3-8-25(17)13-19(20)6-4-7-22-12-19/h3,8-11,16,22,24H,2,4-7,12-13,21H2,1H3/t16?,19-/m0/s1.
What are the key properties of 7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine?
7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine has a molecular weight of 358.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpyrazol-4-yl)-1-[[(3S)-3-fluoropiperidin-3-yl]methyl]-6,7-dihydro-4H-1,6-naphthyridin-5-amine is sourced from PubChem (CID 67464051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).