3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine

C26H36N10 — CID 140975142

IUPAC3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine
SMILESC1=CN(C2(c3ccc[nH]3)C(N3CCCC3)CCN(N3CCNC3)C2(c2ccn[nH]2)c2ncc[nH]2)CC1
InChIInChI=1S/C26H36N10/c1-2-15-33(14-1)23-8-18-36(35-19-13-27-20-35)26(22-7-10-31-32-22,24-29-11-12-30-24)25(23,21-6-5-9-28-21)34-16-3-4-17-34/h3,5-7,9-12,16,23,27-28H,1-2,4,8,13-15,17-20H2,(H,29,30)(H,31,32)
InChIKeyRJAKLJVIWABHIC-UHFFFAOYSA-N
MW488.64 g/mol
LogP1.77
Rot. Bonds6

About 3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine

3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine (PubChem CID 140975142) has the molecular formula C26H36N10 and a molecular weight of 488.64 g/mol. Its IUPAC name is 3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine.

Molecular Properties

Compound Name3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine
PubChem CID140975142
Molecular FormulaC26H36N10
Molecular Weight488.64 g/mol
Exact Mass488.31
IUPAC Name3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine
SMILESC1=CN(C2(c3ccc[nH]3)C(N3CCCC3)CCN(N3CCNC3)C2(c2ccn[nH]2)c2ncc[nH]2)CC1
InChIInChI=1S/C26H36N10/c1-2-15-33(14-1)23-8-18-36(35-19-13-27-20-35)26(22-7-10-31-32-22,24-29-11-12-30-24)25(23,21-6-5-9-28-21)34-16-3-4-17-34/h3,5-7,9-12,16,23,27-28H,1-2,4,8,13-15,17-20H2,(H,29,30)(H,31,32)
InChIKeyRJAKLJVIWABHIC-UHFFFAOYSA-N
XLogP1.77
TPSA98.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 59757801
3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136491500
N-[2-(1H-imidazol-5-yl)ethyl]-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-amine
CID 78054634
US11447505, Example E136
CID 165156574
US11352340, Example 10
CID 129315529
US11352340, Example 12
CID 129315673
N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 137394122
US10544143, Example 48
CID 138686945
US10730877, Example 787
CID 138725722
US11352340, Example 25
CID 129315552
N-(1-(1H-pyrazol-3-yl)-1H-imidazol-4-yl)-2-(2-(pyridin-2-yl)pyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 142498415
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N6-[2-(1H-imidazol-4-yl)ethyl]-2-phenyl-pyrimidine-4,6-diamine
CID 71591854

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine?
The IUPAC name of 3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine (CID 140975142) is 3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine.
What is the SMILES notation for 3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine?
The canonical SMILES for 3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine is C1=CN(C2(c3ccc[nH]3)C(N3CCCC3)CCN(N3CCNC3)C2(c2ccn[nH]2)c2ncc[nH]2)CC1.
What is the InChIKey of 3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine?
The InChIKey is RJAKLJVIWABHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N10/c1-2-15-33(14-1)23-8-18-36(35-19-13-27-20-35)26(22-7-10-31-32-22,24-29-11-12-30-24)25(23,21-6-5-9-28-21)34-16-3-4-17-34/h3,5-7,9-12,16,23,27-28H,1-2,4,8,13-15,17-20H2,(H,29,30)(H,31,32).
What are the key properties of 3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine?
3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine has a molecular weight of 488.64 g/mol, XLogP of 1.77, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyrrol-1-yl)-1-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)piperidine is sourced from PubChem (CID 140975142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).