9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C24H33N7O3 — CID 118638398

IUPAC9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCCCCOc1c2n(c(CNCCNc3nccc4[nH]ncc34)cc1=O)CCN(C(C)C)C2=O
InChIInChI=1S/C24H33N7O3/c1-4-5-12-34-22-20(32)13-17(31-11-10-30(16(2)3)24(33)21(22)31)14-25-8-9-27-23-18-15-28-29-19(18)6-7-26-23/h6-7,13,15-16,25H,4-5,8-12,14H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyMENHPKCWPCOZTI-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.36
Rot. Bonds11

About 9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 118638398) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID118638398
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC Name9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCCCCOc1c2n(c(CNCCNc3nccc4[nH]ncc34)cc1=O)CCN(C(C)C)C2=O
InChIInChI=1S/C24H33N7O3/c1-4-5-12-34-22-20(32)13-17(31-11-10-30(16(2)3)24(33)21(22)31)14-25-8-9-27-23-18-15-28-29-19(18)6-7-26-23/h6-7,13,15-16,25H,4-5,8-12,14H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyMENHPKCWPCOZTI-UHFFFAOYSA-N
XLogP2.36
TPSA117.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 118638398) is 9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CCCCOc1c2n(c(CNCCNc3nccc4[nH]ncc34)cc1=O)CCN(C(C)C)C2=O.
What is the InChIKey of 9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is MENHPKCWPCOZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-4-5-12-34-22-20(32)13-17(31-11-10-30(16(2)3)24(33)21(22)31)14-25-8-9-27-23-18-15-28-29-19(18)6-7-26-23/h6-7,13,15-16,25H,4-5,8-12,14H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 467.57 g/mol, XLogP of 2.36, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butoxy-2-propan-2-yl-6-[[2-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)ethylamino]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 118638398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).