1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol

C24H31N5O4 — CID 123688133

IUPAC1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol
SMILESCC(C)n1ncc2c(NC3COC4OCCC34)cc(-c3cccc(OCC(O)CN)c3)nc21
InChIInChI=1S/C24H31N5O4/c1-14(2)29-23-19(11-26-29)21(27-22-13-33-24-18(22)6-7-31-24)9-20(28-23)15-4-3-5-17(8-15)32-12-16(30)10-25/h3-5,8-9,11,14,16,18,22,24,30H,6-7,10,12-13,25H2,1-2H3,(H,27,28)
InChIKeyMVSRPCGOVFQFTB-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.55
Rot. Bonds8

About 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol

1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol (PubChem CID 123688133) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol.

Molecular Properties

Compound Name1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol
PubChem CID123688133
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol
SMILESCC(C)n1ncc2c(NC3COC4OCCC34)cc(-c3cccc(OCC(O)CN)c3)nc21
InChIInChI=1S/C24H31N5O4/c1-14(2)29-23-19(11-26-29)21(27-22-13-33-24-18(22)6-7-31-24)9-20(28-23)15-4-3-5-17(8-15)32-12-16(30)10-25/h3-5,8-9,11,14,16,18,22,24,30H,6-7,10,12-13,25H2,1-2H3,(H,27,28)
InChIKeyMVSRPCGOVFQFTB-UHFFFAOYSA-N
XLogP2.55
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol with MolForge

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Related Compounds

1-(1,3-dioxolan-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 145967078
4-[[2-(3-Phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 49778240
N-(3-methoxypropyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 49790417
1-Amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol
CID 85472305
US10633389, Example 34-1
CID 85472158
US10633389, Example 51-1
CID 85472559
US10633389, Example 536-1a
CID 118881249
US10633389, Example 564-1a
CID 118881279
US10633389, Example 337-1a
CID 118883624
US10633389, Example 355-1a
CID 118883629
US10633389, Example 382-1a
CID 118883730
US20230279020, Example 381-1a
CID 168679337

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol?
The IUPAC name of 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol (CID 123688133) is 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol.
What is the SMILES notation for 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol?
The canonical SMILES for 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol is CC(C)n1ncc2c(NC3COC4OCCC34)cc(-c3cccc(OCC(O)CN)c3)nc21.
What is the InChIKey of 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol?
The InChIKey is MVSRPCGOVFQFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-14(2)29-23-19(11-26-29)21(27-22-13-33-24-18(22)6-7-31-24)9-20(28-23)15-4-3-5-17(8-15)32-12-16(30)10-25/h3-5,8-9,11,14,16,18,22,24,30H,6-7,10,12-13,25H2,1-2H3,(H,27,28).
What are the key properties of 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol?
1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol has a molecular weight of 453.54 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-aminopropan-2-ol is sourced from PubChem (CID 123688133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).