3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C23H23N7O2 — CID 11517572

IUPAC3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC1(C)c2[nH]nc(Nc3ncnc4ccoc34)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C23H23N7O2/c1-23(2)19-15(20(29-28-19)27-21-18-16(8-9-32-18)24-12-25-21)11-30(23)22(31)26-17-10-14(17)13-6-4-3-5-7-13/h3-9,12,14,17H,10-11H2,1-2H3,(H,26,31)(H2,24,25,27,28,29)/t14-,17+/m1/s1
InChIKeyASLFQIAAFMLPFR-PBHICJAKSA-N
MW429.48 g/mol
LogP4.01
Rot. Bonds4

About 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 11517572) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID11517572
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC1(C)c2[nH]nc(Nc3ncnc4ccoc34)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C23H23N7O2/c1-23(2)19-15(20(29-28-19)27-21-18-16(8-9-32-18)24-12-25-21)11-30(23)22(31)26-17-10-14(17)13-6-4-3-5-7-13/h3-9,12,14,17H,10-11H2,1-2H3,(H,26,31)(H2,24,25,27,28,29)/t14-,17+/m1/s1
InChIKeyASLFQIAAFMLPFR-PBHICJAKSA-N
XLogP4.01
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 11517572) is 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is CC1(C)c2[nH]nc(Nc3ncnc4ccoc34)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is ASLFQIAAFMLPFR-PBHICJAKSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-23(2)19-15(20(29-28-19)27-21-18-16(8-9-32-18)24-12-25-21)11-30(23)22(31)26-17-10-14(17)13-6-4-3-5-7-13/h3-9,12,14,17H,10-11H2,1-2H3,(H,26,31)(H2,24,25,27,28,29)/t14-,17+/m1/s1.
What are the key properties of 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furo[3,2-d]pyrimidin-4-ylamino)-6,6-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 11517572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).