N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide

C22H27N5O — CID 118790451

IUPACN-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cc2n(n1)CCN(Cc1ccc3[nH]ccc3c1)C2)C1CCCC1
InChIInChI=1S/C22H27N5O/c28-22(17-3-1-2-4-17)24-13-19-12-20-15-26(9-10-27(20)25-19)14-16-5-6-21-18(11-16)7-8-23-21/h5-8,11-12,17,23H,1-4,9-10,13-15H2,(H,24,28)
InChIKeyFYGQTQBCLADBRP-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.19
Rot. Bonds5

About N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide

N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 118790451) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
PubChem CID118790451
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cc2n(n1)CCN(Cc1ccc3[nH]ccc3c1)C2)C1CCCC1
InChIInChI=1S/C22H27N5O/c28-22(17-3-1-2-4-17)24-13-19-12-20-15-26(9-10-27(20)25-19)14-16-5-6-21-18(11-16)7-8-23-21/h5-8,11-12,17,23H,1-4,9-10,13-15H2,(H,24,28)
InChIKeyFYGQTQBCLADBRP-UHFFFAOYSA-N
XLogP3.19
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118772302
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118771707
N-[[5-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118772109
N-[[5-[(2-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118787943
1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
CID 155249317
N-[[5-[(3-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118784008
N-[[5-[(4-ethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 72842327
N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118769724
N-[[5-[(1-propan-2-ylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70712096
2-[[2-[(cyclobutanecarbonylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]benzoic acid
CID 72894124
N-[[5-[(5-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70704905
N-[[5-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118763926

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide (CID 118790451) is N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide is O=C(NCc1cc2n(n1)CCN(Cc1ccc3[nH]ccc3c1)C2)C1CCCC1.
What is the InChIKey of N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is FYGQTQBCLADBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c28-22(17-3-1-2-4-17)24-13-19-12-20-15-26(9-10-27(20)25-19)14-16-5-6-21-18(11-16)7-8-23-21/h5-8,11-12,17,23H,1-4,9-10,13-15H2,(H,24,28).
What are the key properties of N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide?
N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 118790451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).