N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne

C23H35N3O5 — CID 159582103

IUPACN-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne
SMILESCC#CCOOOO.CCCN(CCCCOCc1cc2ccccn2n1)CC1CC1
InChIInChI=1S/C19H29N3O.C4H6O4/c1-2-10-21(15-17-8-9-17)11-5-6-13-23-16-18-14-19-7-3-4-12-22(19)20-18;1-2-3-4-6-8-7-5/h3-4,7,12,14,17H,2,5-6,8-11,13,15-16H2,1H3;5H,4H2,1H3
InChIKeyMJDMBGJUXMUZHF-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.12
Rot. Bonds14

About N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne

N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne (PubChem CID 159582103) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne
PubChem CID159582103
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC NameN-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne
SMILESCC#CCOOOO.CCCN(CCCCOCc1cc2ccccn2n1)CC1CC1
InChIInChI=1S/C19H29N3O.C4H6O4/c1-2-10-21(15-17-8-9-17)11-5-6-13-23-16-18-14-19-7-3-4-12-22(19)20-18;1-2-3-4-6-8-7-5/h3-4,7,12,14,17H,2,5-6,8-11,13,15-16H2,1H3;5H,4H2,1H3
InChIKeyMJDMBGJUXMUZHF-UHFFFAOYSA-N
XLogP4.12
TPSA77.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne?
The IUPAC name of N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne (CID 159582103) is N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne?
The canonical SMILES for N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne is CC#CCOOOO.CCCN(CCCCOCc1cc2ccccn2n1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne?
The InChIKey is MJDMBGJUXMUZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.C4H6O4/c1-2-10-21(15-17-8-9-17)11-5-6-13-23-16-18-14-19-7-3-4-12-22(19)20-18;1-2-3-4-6-8-7-5/h3-4,7,12,14,17H,2,5-6,8-11,13,15-16H2,1H3;5H,4H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne?
N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne has a molecular weight of 433.55 g/mol, XLogP of 4.12, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propyl-4-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)butan-1-amine;1-hydroperoxyperoxybut-2-yne is sourced from PubChem (CID 159582103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).