N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine

C34H30N12O2 — CID 157266535

IUPACN-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cc3cn[nH]c3nc2-c2ccco2)n1.c1coc(-c2nc3[nH]ncc3cc2-c2ccnc(NC3CC3)n2)c1
InChIInChI=1S/C17H14N6O.C17H16N6O/c1-2-14(24-7-1)15-12(8-10-9-19-23-16(10)22-15)13-5-6-18-17(21-13)20-11-3-4-11;1-10(2)20-17-18-6-5-13(21-17)12-8-11-9-19-23-16(11)22-15(12)14-4-3-7-24-14/h1-2,5-9,11H,3-4H2,(H,18,20,21)(H,19,22,23);3-10H,1-2H3,(H,18,20,21)(H,19,22,23)
InChIKeyAYBFRSUJLXFMEE-UHFFFAOYSA-N
MW638.70 g/mol
LogP6.74
Rot. Bonds8

About N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine

N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 157266535) has the molecular formula C34H30N12O2 and a molecular weight of 638.70 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID157266535
Molecular FormulaC34H30N12O2
Molecular Weight638.70 g/mol
Exact Mass638.26
IUPAC NameN-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cc3cn[nH]c3nc2-c2ccco2)n1.c1coc(-c2nc3[nH]ncc3cc2-c2ccnc(NC3CC3)n2)c1
InChIInChI=1S/C17H14N6O.C17H16N6O/c1-2-14(24-7-1)15-12(8-10-9-19-23-16(10)22-15)13-5-6-18-17(21-13)20-11-3-4-11;1-10(2)20-17-18-6-5-13(21-17)12-8-11-9-19-23-16(11)22-15(12)14-4-3-7-24-14/h1-2,5-9,11H,3-4H2,(H,18,20,21)(H,19,22,23);3-10H,1-2H3,(H,18,20,21)(H,19,22,23)
InChIKeyAYBFRSUJLXFMEE-UHFFFAOYSA-N
XLogP6.74
TPSA185.04 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500638.70
LogP ≤ 56.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine with MolForge

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Related Compounds

4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225572
4-(Furan-2-yl)-10-[2-[4-(6-methyl-3-pyridinyl)phenyl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 44568316
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225574
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226080
3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226136
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carbonitrile
CID 46226137
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
CID 46226156
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417
4-(Furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9818556
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine (CID 157266535) is N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2cc3cn[nH]c3nc2-c2ccco2)n1.c1coc(-c2nc3[nH]ncc3cc2-c2ccnc(NC3CC3)n2)c1.
What is the InChIKey of N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is AYBFRSUJLXFMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O.C17H16N6O/c1-2-14(24-7-1)15-12(8-10-9-19-23-16(10)22-15)13-5-6-18-17(21-13)20-11-3-4-11;1-10(2)20-17-18-6-5-13(21-17)12-8-11-9-19-23-16(11)22-15(12)14-4-3-7-24-14/h1-2,5-9,11H,3-4H2,(H,18,20,21)(H,19,22,23);3-10H,1-2H3,(H,18,20,21)(H,19,22,23).
What are the key properties of N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine?
N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 638.70 g/mol, XLogP of 6.74, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;4-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 157266535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).