(4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate

C26H39N5O3 — CID 139481356

IUPAC(4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate
SMILESCO[C@H](C)CN(CCCCc1ccc2c(n1)NCCC2)CCCC(=O)On1cc(C2CC2)cn1
InChIInChI=1S/C26H39N5O3/c1-20(33-2)18-30(15-4-3-8-24-13-12-22-7-5-14-27-26(22)29-24)16-6-9-25(32)34-31-19-23(17-28-31)21-10-11-21/h12-13,17,19-21H,3-11,14-16,18H2,1-2H3,(H,27,29)/t20-/m1/s1
InChIKeyJMWVRVIRHJMCJX-HXUWFJFHSA-N
MW469.63 g/mol
LogP3.61
Rot. Bonds14

About (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate

(4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate (PubChem CID 139481356) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate.

Molecular Properties

Compound Name(4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate
PubChem CID139481356
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC Name(4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate
SMILESCO[C@H](C)CN(CCCCc1ccc2c(n1)NCCC2)CCCC(=O)On1cc(C2CC2)cn1
InChIInChI=1S/C26H39N5O3/c1-20(33-2)18-30(15-4-3-8-24-13-12-22-7-5-14-27-26(22)29-24)16-6-9-25(32)34-31-19-23(17-28-31)21-10-11-21/h12-13,17,19-21H,3-11,14-16,18H2,1-2H3,(H,27,29)/t20-/m1/s1
InChIKeyJMWVRVIRHJMCJX-HXUWFJFHSA-N
XLogP3.61
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate with MolForge

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Related Compounds

(4-tert-butyl-6-methylpyrimidin-5-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate
CID 155171412
4-[2-methoxypropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(pyridin-2-ylamino)butanoic acid
CID 139463466
4-[2-methoxypropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(quinoxalin-2-ylamino)butanoic acid
CID 139463503
(2S)-4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(phenylmethoxycarbonylamino)butanoic acid
CID 139463789
4-[2-methoxypropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(6-pyridin-4-ylpyrazin-2-yl)amino]butanoic acid
CID 139463673
(2S)-2-[(5-bromopyrimidin-4-yl)amino]-4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 139463810
(2S)-2-[[6-(dimethylamino)pyrimidin-4-yl]amino]-4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 139463996
4-[2-methoxypropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(4-phenyl-2-pyridinyl)amino]butanoic acid
CID 139464273
4-[2-methoxypropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 139463613
[(E)-[(E)-3-amino-2-fluoroprop-2-enylidene]amino] 4-[2,2-difluoroethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate
CID 139481363
4-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 139467801
4-[2-(2-methylpentoxy)ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 178062199

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate?
The IUPAC name of (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate (CID 139481356) is (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate.
What is the SMILES notation for (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate?
The canonical SMILES for (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate is CO[C@H](C)CN(CCCCc1ccc2c(n1)NCCC2)CCCC(=O)On1cc(C2CC2)cn1.
What is the InChIKey of (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate?
The InChIKey is JMWVRVIRHJMCJX-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H39N5O3/c1-20(33-2)18-30(15-4-3-8-24-13-12-22-7-5-14-27-26(22)29-24)16-6-9-25(32)34-31-19-23(17-28-31)21-10-11-21/h12-13,17,19-21H,3-11,14-16,18H2,1-2H3,(H,27,29)/t20-/m1/s1.
What are the key properties of (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate?
(4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate has a molecular weight of 469.63 g/mol, XLogP of 3.61, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpyrazol-1-yl) 4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate is sourced from PubChem (CID 139481356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).